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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:37:18 UTC

Update Date

2022-03-07 02:55:43 UTC

HMDB ID

HMDB0038329

Secondary Accession Numbers

HMDB38329

Metabolite Identification

Common Name

Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin

Description

Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin has been detected, but not quantified in, several different foods, such as arabica coffees (Coffea arabica), coffee and coffee products, fats and oils, nuts, and robusta coffees (Coffea canephora). This could make dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv0541 05061310232D          

 35 37  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

HMDB0038329
     RDKit          3D
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
 66 68  0  0  0  0  0  0  0  0999 V2000
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M  END

  Mrv0541 05061310232D          

 35 37  0  0  0  0            999 V2000
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    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0038329

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)\C(=C\C#N)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H31NO14/c21-2-1-6-7(32-19-17(30)15(28)13(26)9(4-22)34-19)3-8(12(25)11(6)24)33-20-18(31)16(29)14(27)10(5-23)35-20/h1,7-20,22-31H,3-5H2/b6-1-

> <INCHI_KEY>
XJQKQFRVSPIUIR-BHQIHCQQSA-N

> <FORMULA>
C20H31NO14

> <MOLECULAR_WEIGHT>
509.4584

> <EXACT_MASS>
509.174454705

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
47.77417185350456

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1E)-2,3-dihydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

> <ALOGPS_LOGP>
-2.16

> <JCHEM_LOGP>
-5.9683554606666664

> <ALOGPS_LOGS>
-0.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.356752597754962

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.873177191920535

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4981311890869513

> <JCHEM_POLAR_SURFACE_AREA>
263.00999999999993

> <JCHEM_REFRACTIVITY>
108.764

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.29e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(1E)-2,3-dihydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038329
     RDKit          3D
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
 66 68  0  0  0  0  0  0  0  0999 V2000
    1.4094   -0.3755   -5.8787 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5982   -0.2468   -4.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239   -0.0916   -3.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9580   -0.6157   -2.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1016   -0.5108   -1.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.3261   -0.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -0.2383    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0558    0.4603    1.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9790    1.4117    1.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696    1.1394    2.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2735   -0.0954    2.9711 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    1.6724    0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2637    1.2713    1.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7811    0.9903   -0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9611    0.9781   -1.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -0.4375   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2456   -1.2432   -1.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1852    0.1542   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922   -0.7002   -0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -0.0958   -0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1364   -0.8827    0.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3899   -1.0828    0.1992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4715   -0.6076    0.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1418    0.3773   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1867    1.3548   -0.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2979    0.1307    2.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4078    0.0517    2.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0971   -0.4437    2.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2507   -1.8238    3.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -0.1529    1.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9065    1.2380    1.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044   -0.8644   -2.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413    0.2762   -3.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2196   -1.3393   -3.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -2.6966   -2.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    0.4540   -3.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1457   -1.4965   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846   -1.2704    0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    2.3884    1.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9122    1.1450    3.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3961    1.9382    3.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6006   -0.8002    2.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1133    2.7711    0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7116    2.0203    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475    1.4936   -1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4634    1.8365   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0582   -0.8922    0.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890   -1.7104   -1.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    0.2957    0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426    1.1571   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547   -1.6874   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -1.8258    0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2842   -1.3818    0.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0573    0.8033    0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3124   -0.1771   -1.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7964    1.2530   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0457    1.1972    1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8391    0.9446    3.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9180    0.0523    3.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2104   -2.0649    3.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017   -0.4807    2.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4429    1.4376    0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2648   -1.6601   -2.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    1.0371   -2.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -1.1795   -4.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3099   -2.8857   -1.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34  4  1  0
 16  7  1  0
 30 21  1  0
  3 36  1  0
  5 37  1  0
  7 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 12 43  1  0
 13 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 21 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 25 56  1  0
 26 57  1  0
 27 58  1  0
 28 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -1.334   5.390   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0      -2.667   9.240   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      13.337   4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334  13.090   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.001  11.550   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1   21                                                       
CONECT    3    7    8                                                       
CONECT    4    9   22                                                       
CONECT    5   10   23                                                       
CONECT    6    1    7   11                                                  
CONECT    7    3    6   32                                                  
CONECT    8    3   12   33                                                  
CONECT    9    4   13   34                                                  
CONECT   10    5   14   35                                                  
CONECT   11    6   12   24                                                  
CONECT   12    8   11   25                                                  
CONECT   13    9   15   26                                                  
CONECT   14   10   16   27                                                  
CONECT   15   13   17   28                                                  
CONECT   16   14   18   29                                                  
CONECT   17   15   19   30                                                  
CONECT   18   16   20   31                                                  
CONECT   19   17   32   34                                                  
CONECT   20   18   33   35                                                  
CONECT   21    2                                                            
CONECT   22    4                                                            
CONECT   23    5                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   13                                                            
CONECT   27   14                                                            
CONECT   28   15                                                            
CONECT   29   16                                                            
CONECT   30   17                                                            
CONECT   31   18                                                            
CONECT   32    7   19                                                       
CONECT   33    8   20                                                       
CONECT   34    9   19                                                       
CONECT   35   10   20                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

COMPND    HMDB0038329
HETATM    1  N1  UNL     1       1.409  -0.375  -5.879  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.598  -0.247  -4.740  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.824  -0.092  -3.327  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.958  -0.616  -2.494  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.102  -0.511  -1.029  1.00  0.00           C  
HETATM    6  O1  UNL     1       2.134   0.326  -0.675  1.00  0.00           O  
HETATM    7  C5  UNL     1       2.993  -0.238   0.263  1.00  0.00           C  
HETATM    8  O2  UNL     1       3.056   0.460   1.430  1.00  0.00           O  
HETATM    9  C6  UNL     1       3.979   1.412   1.609  1.00  0.00           C  
HETATM   10  C7  UNL     1       4.670   1.139   2.958  1.00  0.00           C  
HETATM   11  O3  UNL     1       5.274  -0.095   2.971  1.00  0.00           O  
HETATM   12  C8  UNL     1       4.990   1.672   0.577  1.00  0.00           C  
HETATM   13  O4  UNL     1       6.264   1.271   1.033  1.00  0.00           O  
HETATM   14  C9  UNL     1       4.781   0.990  -0.748  1.00  0.00           C  
HETATM   15  O5  UNL     1       5.961   0.978  -1.462  1.00  0.00           O  
HETATM   16  C10 UNL     1       4.333  -0.438  -0.402  1.00  0.00           C  
HETATM   17  O6  UNL     1       4.246  -1.243  -1.506  1.00  0.00           O  
HETATM   18  C11 UNL     1      -0.185   0.154  -0.538  1.00  0.00           C  
HETATM   19  C12 UNL     1      -1.392  -0.700  -0.898  1.00  0.00           C  
HETATM   20  O7  UNL     1      -2.494  -0.096  -0.364  1.00  0.00           O  
HETATM   21  C13 UNL     1      -3.136  -0.883   0.629  1.00  0.00           C  
HETATM   22  O8  UNL     1      -4.390  -1.083   0.199  1.00  0.00           O  
HETATM   23  C14 UNL     1      -5.471  -0.608   0.831  1.00  0.00           C  
HETATM   24  C15 UNL     1      -6.142   0.377  -0.148  1.00  0.00           C  
HETATM   25  O9  UNL     1      -5.187   1.355  -0.398  1.00  0.00           O  
HETATM   26  C16 UNL     1      -5.298   0.131   2.109  1.00  0.00           C  
HETATM   27  O10 UNL     1      -6.408   0.052   2.911  1.00  0.00           O  
HETATM   28  C17 UNL     1      -4.097  -0.444   2.845  1.00  0.00           C  
HETATM   29  O11 UNL     1      -4.251  -1.824   3.001  1.00  0.00           O  
HETATM   30  C18 UNL     1      -2.925  -0.153   1.909  1.00  0.00           C  
HETATM   31  O12 UNL     1      -2.907   1.238   1.695  1.00  0.00           O  
HETATM   32  C19 UNL     1      -1.504  -0.864  -2.377  1.00  0.00           C  
HETATM   33  O13 UNL     1      -1.941   0.276  -3.018  1.00  0.00           O  
HETATM   34  C20 UNL     1      -0.220  -1.339  -3.019  1.00  0.00           C  
HETATM   35  O14 UNL     1      -0.068  -2.697  -2.807  1.00  0.00           O  
HETATM   36  H1  UNL     1       2.700   0.454  -3.001  1.00  0.00           H  
HETATM   37  H2  UNL     1       1.146  -1.496  -0.519  1.00  0.00           H  
HETATM   38  H3  UNL     1       2.585  -1.270   0.474  1.00  0.00           H  
HETATM   39  H4  UNL     1       3.432   2.388   1.797  1.00  0.00           H  
HETATM   40  H5  UNL     1       3.912   1.145   3.787  1.00  0.00           H  
HETATM   41  H6  UNL     1       5.396   1.938   3.196  1.00  0.00           H  
HETATM   42  H7  UNL     1       4.601  -0.800   2.992  1.00  0.00           H  
HETATM   43  H8  UNL     1       5.113   2.771   0.344  1.00  0.00           H  
HETATM   44  H9  UNL     1       6.712   2.020   1.509  1.00  0.00           H  
HETATM   45  H10 UNL     1       3.947   1.494  -1.247  1.00  0.00           H  
HETATM   46  H11 UNL     1       6.463   1.836  -1.297  1.00  0.00           H  
HETATM   47  H12 UNL     1       5.058  -0.892   0.311  1.00  0.00           H  
HETATM   48  H13 UNL     1       5.089  -1.710  -1.692  1.00  0.00           H  
HETATM   49  H14 UNL     1      -0.176   0.296   0.551  1.00  0.00           H  
HETATM   50  H15 UNL     1      -0.243   1.157  -1.001  1.00  0.00           H  
HETATM   51  H16 UNL     1      -1.255  -1.687  -0.418  1.00  0.00           H  
HETATM   52  H17 UNL     1      -2.512  -1.826   0.686  1.00  0.00           H  
HETATM   53  H18 UNL     1      -6.284  -1.382   0.993  1.00  0.00           H  
HETATM   54  H19 UNL     1      -7.057   0.803   0.300  1.00  0.00           H  
HETATM   55  H20 UNL     1      -6.312  -0.177  -1.080  1.00  0.00           H  
HETATM   56  H21 UNL     1      -4.796   1.253  -1.279  1.00  0.00           H  
HETATM   57  H22 UNL     1      -5.046   1.197   1.900  1.00  0.00           H  
HETATM   58  H23 UNL     1      -6.839   0.945   3.032  1.00  0.00           H  
HETATM   59  H24 UNL     1      -3.918   0.052   3.809  1.00  0.00           H  
HETATM   60  H25 UNL     1      -5.210  -2.065   3.025  1.00  0.00           H  
HETATM   61  H26 UNL     1      -2.002  -0.481   2.397  1.00  0.00           H  
HETATM   62  H27 UNL     1      -2.443   1.438   0.841  1.00  0.00           H  
HETATM   63  H28 UNL     1      -2.265  -1.660  -2.570  1.00  0.00           H  
HETATM   64  H29 UNL     1      -1.331   1.037  -2.934  1.00  0.00           H  
HETATM   65  H30 UNL     1      -0.331  -1.180  -4.128  1.00  0.00           H  
HETATM   66  H31 UNL     1       0.310  -2.886  -1.921  1.00  0.00           H  
CONECT    1    2    2    2
CONECT    2    3
CONECT    3    4    4   36
CONECT    4    5   34
CONECT    5    6   18   37
CONECT    6    7
CONECT    7    8   16   38
CONECT    8    9
CONECT    9   10   12   39
CONECT   10   11   40   41
CONECT   11   42
CONECT   12   13   14   43
CONECT   13   44
CONECT   14   15   16   45
CONECT   15   46
CONECT   16   17   47
CONECT   17   48
CONECT   18   19   49   50
CONECT   19   20   32   51
CONECT   20   21
CONECT   21   22   30   52
CONECT   22   23
CONECT   23   24   26   53
CONECT   24   25   54   55
CONECT   25   56
CONECT   26   27   28   57
CONECT   27   58
CONECT   28   29   30   59
CONECT   29   60
CONECT   30   31   61
CONECT   31   62
CONECT   32   33   34   63
CONECT   33   64
CONECT   34   35   65
CONECT   35   66
END

HMDB0038329
     RDKit          3D
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
 66 68  0  0  0  0  0  0  0  0999 V2000
    1.4094   -0.3755   -5.8787 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5982   -0.2468   -4.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239   -0.0916   -3.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9580   -0.6157   -2.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1016   -0.5108   -1.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.3261   -0.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -0.2383    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0558    0.4603    1.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9790    1.4117    1.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696    1.1394    2.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2735   -0.0954    2.9711 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    1.6724    0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2637    1.2713    1.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7811    0.9903   -0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9611    0.9781   -1.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -0.4375   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2456   -1.2432   -1.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1852    0.1542   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922   -0.7002   -0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -0.0958   -0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1364   -0.8827    0.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3899   -1.0828    0.1992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4715   -0.6076    0.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1418    0.3773   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1867    1.3548   -0.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2979    0.1307    2.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4078    0.0517    2.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0971   -0.4437    2.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2507   -1.8238    3.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -0.1529    1.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9065    1.2380    1.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044   -0.8644   -2.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413    0.2762   -3.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2196   -1.3393   -3.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -2.6966   -2.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    0.4540   -3.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1457   -1.4965   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846   -1.2704    0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    2.3884    1.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9122    1.1450    3.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3961    1.9382    3.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6006   -0.8002    2.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1133    2.7711    0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7116    2.0203    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475    1.4936   -1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4634    1.8365   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0582   -0.8922    0.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890   -1.7104   -1.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    0.2957    0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426    1.1571   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547   -1.6874   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -1.8258    0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2842   -1.3818    0.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0573    0.8033    0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3124   -0.1771   -1.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7964    1.2530   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0457    1.1972    1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8391    0.9446    3.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9180    0.0523    3.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2104   -2.0649    3.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017   -0.4807    2.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4429    1.4376    0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2648   -1.6601   -2.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    1.0371   -2.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -1.1795   -4.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3099   -2.8857   -1.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34  4  1  0
 16  7  1  0
 30 21  1  0
  3 36  1  0
  5 37  1  0
  7 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 12 43  1  0
 13 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 21 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 25 56  1  0
 26 57  1  0
 27 58  1  0
 28 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Dide-O-methyl-4-O-a-D-glucopyranosylsimmondsin	Generator
Dide-O-methyl-4-O-α-D-glucopyranosylsimmondsin	Generator
Di-demethylsimmondsin 4-a-D-glucoside	Generator
Di-demethylsimmondsin 4-α-D-glucoside	Generator

Chemical Formula

C₂₀H₃₁NO₁₄

Average Molecular Weight

509.4584

Monoisotopic Molecular Weight

509.174454705

IUPAC Name

2-[(1E)-2,3-dihydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

Traditional Name

2-[(1E)-2,3-dihydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

CAS Registry Number

370068-00-1

SMILES

OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)\C(=C\C#N)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C20H31NO14/c21-2-1-6-7(32-19-17(30)15(28)13(26)9(4-22)34-19)3-8(12(25)11(6)24)33-20-18(31)16(29)14(27)10(5-23)35-20/h1,7-20,22-31H,3-5H2/b6-1-

InChI Key

XJQKQFRVSPIUIR-BHQIHCQQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Cyclitol or derivatives
Monosaccharide
Oxane
Cyclic alcohol
Secondary alcohol
Acetal
Oxacycle
Carbonitrile
Nitrile
Organoheterocyclic compound
Polyol
Alcohol
Organic nitrogen compound
Organopnictogen compound
Organonitrogen compound
Primary alcohol
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038329)
Cytoplasm (HMDB: HMDB0038329)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038329)

Source

Exogenous

Exogenous (HMDB: HMDB0038329)

Food

Food (HMDB: HMDB0038329)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Coffee and coffee products (FooDB: FOOD00861)

Nut

Nuts (FooDB: FOOD00869)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Endogenous

Plant

Plant (HMDB: HMDB0038329)
Coffea (HMDB: HMDB0038329)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038329)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	129 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-6	ChemAxon
logS	-0.6	ALOGPS
pKa (Strongest Acidic)	11.87	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	263.01 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	108.76 m³·mol⁻¹	ChemAxon
Polarizability	47.77 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	213.257	31661259
DarkChem	[M-H]-	204.017	31661259
DeepCCS	[M+H]+	205.801	30932474
DeepCCS	[M-H]-	203.443	30932474
DeepCCS	[M-2H]-	236.355	30932474
DeepCCS	[M+Na]+	212.7	30932474
AllCCS	[M+H]+	212.2	32859911
AllCCS	[M+H-H2O]+	210.6	32859911
AllCCS	[M+NH4]+	213.6	32859911
AllCCS	[M+Na]+	214.0	32859911
AllCCS	[M-H]-	208.0	32859911
AllCCS	[M+Na-2H]-	208.2	32859911
AllCCS	[M+HCOO]-	208.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin	OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)\C(=C\C#N)C(O)C2O)C(O)C(O)C1O	4132.5	Standard polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin	OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)\C(=C\C#N)C(O)C2O)C(O)C(O)C1O	4296.4	Standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin	OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)\C(=C\C#N)C(O)C2O)C(O)C(O)C1O	4581.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4326.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #10	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C1O	4343.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4327.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #3	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O	4345.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #4	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C1O	4331.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4336.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #6	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4339.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4346.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #8	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4333.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TMS,isomer #9	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C1O	4327.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4297.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4305.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4284.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4300.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4313.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4307.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4308.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4290.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4309.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #18	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O	4321.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O	4294.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4307.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O	4315.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #21	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4324.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #22	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4319.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O	4299.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O[Si](C)(C)C	4297.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #25	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C1O	4296.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #26	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C1O	4271.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #27	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4294.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #28	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4302.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #29	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4293.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4286.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #30	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O[Si](C)(C)C	4299.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #31	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O	4319.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #32	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4296.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #33	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4317.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #34	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4324.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #35	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4319.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #36	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	4317.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #37	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4287.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #38	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	4311.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #39	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4319.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4306.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #40	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4323.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #41	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4298.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #42	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4320.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C1O	4294.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #44	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4292.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C1O[Si](C)(C)C	4293.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4308.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4314.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4304.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4286.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4310.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4271.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4273.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #100	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4280.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #101	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	4295.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #102	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4311.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #103	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C1O	4275.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #104	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4276.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #105	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4278.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #106	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4275.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #107	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4255.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #108	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4305.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #109	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	4282.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4279.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #110	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4295.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #111	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	4266.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #112	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	4268.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #113	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O[Si](C)(C)C	4296.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #114	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4267.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #115	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4255.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #116	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4282.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #117	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4289.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #118	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4289.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #119	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4290.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4296.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #120	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4286.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4283.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4254.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4287.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4270.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4250.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4270.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4258.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4239.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4233.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4262.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4277.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4296.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4280.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4257.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4287.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4276.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4274.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4245.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4264.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4284.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4295.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4267.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4301.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4262.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4265.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4263.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4260.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4259.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4294.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4277.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4276.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4293.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4263.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4287.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4259.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4259.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4237.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4261.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4233.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4253.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4257.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4285.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4264.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4281.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4256.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4277.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4274.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4305.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4277.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4301.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4289.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4276.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4258.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4285.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4272.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4275.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4273.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #65	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O	4277.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O	4279.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #67	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4311.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #68	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	4294.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #69	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O	4289.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4251.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C1O	4287.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #71	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O	4278.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #72	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4273.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #73	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4253.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #74	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O	4253.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #75	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C1O	4250.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #76	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4304.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #77	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	4284.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #78	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O	4277.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #79	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4278.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4274.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #80	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4298.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #81	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4298.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #82	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4297.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #83	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4279.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #84	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4283.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #85	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4296.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #86	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O	4288.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #87	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	4261.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #88	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4280.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #89	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C1O	4250.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4272.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #90	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C1O	4249.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #91	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C1O	4250.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #92	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4244.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #93	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4226.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #94	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C1O	4252.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #95	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4278.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #96	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	4253.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #97	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4276.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #98	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4296.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TMS,isomer #99	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4265.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4105.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4081.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #100	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4179.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #101	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4139.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4173.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #103	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4153.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4163.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #105	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4158.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #106	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4147.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #107	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4108.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #108	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4141.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4105.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4113.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #110	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4135.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #111	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4103.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #112	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4163.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #113	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4132.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #114	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4158.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #115	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4123.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #116	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4094.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #117	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4119.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #118	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4105.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #119	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4115.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4087.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #120	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4110.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #121	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4128.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #122	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4198.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #123	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4150.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #124	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4187.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #125	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4159.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #126	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4110.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #127	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4147.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #128	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4128.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #129	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4137.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4115.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #130	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4131.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #131	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4166.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #132	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4122.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #133	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4161.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #134	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4167.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #135	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4177.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #136	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4171.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #137	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4127.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #138	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4142.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #139	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4133.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4155.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #140	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4148.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #141	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O	4188.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #142	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4212.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #143	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	4164.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #144	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O	4160.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #145	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O[Si](C)(C)C	4158.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #146	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4207.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #147	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	4161.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #148	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O	4154.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #149	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C1O	4156.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4114.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #150	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4223.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #151	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4224.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #152	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O[Si](C)(C)C	4213.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #153	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	4174.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #154	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	4178.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #155	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O	4205.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #156	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4195.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #157	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4149.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #158	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O	4143.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #159	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O[Si](C)(C)C	4142.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4152.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #160	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4158.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #161	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4163.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #162	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4144.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #163	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4117.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #164	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4121.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #165	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C1O	4141.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #166	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4193.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #167	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4198.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #168	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4179.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #169	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	4147.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4110.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #170	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	4155.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #171	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4172.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #172	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4213.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #173	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4165.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #174	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4171.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #175	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4165.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #176	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	4163.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #177	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4211.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #178	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C1O	4145.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #179	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O[Si](C)(C)C	4149.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4147.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #180	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	4116.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #181	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	4115.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #182	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O[Si](C)(C)C	4156.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #183	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4157.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #184	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4157.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #185	C[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C1O	4132.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #186	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4140.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #187	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4100.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #188	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O[Si](C)(C)C	4131.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #189	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4149.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4110.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #190	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4102.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #191	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4106.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #192	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	4137.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #193	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4185.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #194	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4126.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #195	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4152.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #196	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	4151.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #197	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	4153.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #198	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O[Si](C)(C)C	4199.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #199	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4198.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4101.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4177.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #200	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4196.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #201	C[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4170.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #202	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4183.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #203	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4137.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #204	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4133.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #205	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4170.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #206	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4149.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #207	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4149.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #208	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4151.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #209	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4134.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4135.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #210	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4194.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4172.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4139.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4096.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4131.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4121.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4114.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4120.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4159.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4171.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4140.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4181.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4156.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4123.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4165.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4144.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4183.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4154.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4122.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4166.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4129.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4164.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4162.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4128.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4173.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4206.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4167.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4217.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4135.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4147.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4145.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4167.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4127.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4169.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4142.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4113.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4153.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4116.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4116.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4093.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4129.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4158.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4126.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4133.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4168.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4096.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4109.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4109.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4153.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4158.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4116.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4166.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4198.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4163.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4155.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #71	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4205.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #72	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4124.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4136.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #74	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4133.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #75	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4145.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #76	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4109.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #77	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4162.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #78	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4105.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #79	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4120.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4092.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #80	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4117.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #81	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4144.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #82	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4159.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #83	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4157.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #84	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4125.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #85	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4137.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #86	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4168.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #87	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4125.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #88	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4158.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #89	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4122.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4122.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #90	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4153.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #91	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4162.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4121.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #93	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4154.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #94	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4117.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #95	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4147.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #96	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4162.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #97	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4224.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #98	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4177.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,4TMS,isomer #99	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4216.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	3959.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3971.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #100	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3999.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #101	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4006.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3986.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #103	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3966.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4001.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #105	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3965.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #106	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3971.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #107	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3979.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #108	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4003.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4009.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	3994.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #110	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4014.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #111	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3971.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #112	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4025.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #113	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3994.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #114	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4038.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #115	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3988.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #116	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3993.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #117	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4000.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #118	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4035.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #119	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4042.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3990.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #120	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4040.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #121	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3997.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #122	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3992.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #123	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3995.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #124	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4001.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #125	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3979.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #126	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4017.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #127	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4021.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #128	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3977.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #129	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4016.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4060.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #130	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3976.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #131	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4006.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #132	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3994.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #133	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4054.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #134	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4015.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #135	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4044.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #136	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4015.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #137	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3979.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #138	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4006.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #139	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4011.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4022.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #140	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4016.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #141	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4014.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #142	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4001.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #143	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4068.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #144	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4023.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #145	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4057.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #146	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4015.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #147	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3983.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #148	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4008.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #149	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4014.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4050.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #150	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4015.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #151	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4012.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #152	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4055.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #153	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	4010.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #154	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4041.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #155	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4067.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #156	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4068.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #157	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4064.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #158	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4024.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #159	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4028.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4012.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #160	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4025.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #161	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4038.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #162	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3978.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #163	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4042.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #164	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3997.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #165	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4028.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #166	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	3996.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #167	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3960.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #168	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	3986.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #169	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3990.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3981.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #170	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3994.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #171	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3990.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #172	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4003.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #173	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3967.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #174	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	3993.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #175	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4017.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #176	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4018.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #177	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4017.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #178	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3984.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #179	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3986.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4003.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #180	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3984.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #181	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3990.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #182	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4025.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #183	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3977.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #184	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	4008.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #185	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4037.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #186	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4038.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #187	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4032.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #188	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3988.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #189	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3992.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4013.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #190	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3989.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #191	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3998.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #192	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4019.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #193	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4021.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #194	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4016.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #195	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4049.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #196	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4008.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #197	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4070.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #198	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4029.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #199	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O	4041.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4008.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4017.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #200	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O[Si](C)(C)C	4024.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #201	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4052.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #202	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4067.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #203	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4041.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #204	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	4014.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #205	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	4033.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #206	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O[Si](C)(C)C	4040.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #207	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4063.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #208	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4072.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #209	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4048.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4015.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #210	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	4022.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #211	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	4030.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #212	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C1O	4047.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #213	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4098.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #214	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O[Si](C)(C)C	4052.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #215	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O[Si](C)(C)C	4073.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #216	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	4054.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #217	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4035.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #218	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4051.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #219	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4024.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	3999.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #220	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3995.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #221	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4015.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #222	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4021.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #223	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4043.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #224	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4005.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #225	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4025.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #226	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4009.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #227	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4076.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #228	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4024.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #229	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4048.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3956.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #230	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	4025.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #231	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4051.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #232	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	4010.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #233	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	4017.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #234	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O[Si](C)(C)C	4050.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #235	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4049.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #236	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4062.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #237	C[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4022.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #238	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3991.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #239	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4001.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	3991.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #240	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4009.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #241	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)/C(=C/C#N)C1O	4028.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #242	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4033.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #243	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	3985.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #244	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3991.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #245	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4002.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #246	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4026.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #247	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4026.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #248	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	4037.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #249	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4049.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3960.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #250	C[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)/C(=C/C#N)C1O	4068.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #251	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4026.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #252	C[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4023.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3984.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3958.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4016.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3983.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3968.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4009.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	3977.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3946.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3970.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3977.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3982.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3978.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3976.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4047.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4004.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	4004.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4035.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	3993.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3961.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3983.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3993.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3996.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3993.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4003.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3969.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3993.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C)C1O	3976.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4028.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4027.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4027.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3983.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3982.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3984.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	3989.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4006.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4051.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4016.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C	3999.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3994.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4035.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4008.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3998.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3983.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4020.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4050.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4017.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4062.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3995.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4002.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4004.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #71	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4013.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #72	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4028.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4013.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #74	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3997.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #75	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4034.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #76	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4065.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #77	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4032.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #78	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4079.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #79	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4007.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)/C2=C\C#N)C(O)C(O)C1O	3960.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #80	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4015.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #81	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4021.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #82	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4026.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #83	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4001.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #84	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4042.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #85	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3998.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #86	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4002.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #87	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4011.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #88	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4042.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #89	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4050.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C)C(O)C1O	3999.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #90	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4049.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #91	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4007.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4005.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #93	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3993.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #94	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3979.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #95	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4014.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #96	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4049.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #97	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4014.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #98	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4059.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,5TMS,isomer #99	C[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3990.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4553.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C1O	4575.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4554.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O	4578.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C1O	4566.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4556.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4581.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4578.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4550.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C1O	4558.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4645.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4677.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4646.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4643.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4686.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4689.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4676.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4676.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4680.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O	4715.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O	4685.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4680.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O	4692.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4721.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4726.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C1O	4687.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O[Si](C)(C)C(C)(C)C	4698.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C1O	4694.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C1O	4661.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4672.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)/C(=C/C#N)C1O	4699.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4706.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4660.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4695.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O	4700.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4672.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4678.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C1O	4708.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4714.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O	4724.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	4692.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	4698.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	4723.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4661.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4719.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4687.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4695.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4673.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4679.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	4685.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4691.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4689.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4660.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4661.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4681.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4723.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4746.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #100	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4802.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #101	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O	4807.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #102	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C1O	4811.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #103	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4750.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #104	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4753.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #105	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)OC(CO)C(O)C1O	4750.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #106	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C1O	4772.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #107	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	4770.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #108	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C1O	4780.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #109	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	4775.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4783.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #110	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	4813.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #111	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	4778.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #112	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	4777.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #113	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	4814.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #114	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	4777.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #115	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C	4775.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #116	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4786.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #117	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4782.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #118	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4780.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #119	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C1O	4778.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4790.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #120	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4759.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4748.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4752.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4779.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4750.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4756.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4766.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4728.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4704.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4729.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4756.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4771.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4776.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4734.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4737.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4764.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4783.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4765.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4761.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4695.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4790.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4768.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4768.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4797.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4745.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4744.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4756.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4729.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4720.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4788.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4739.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4780.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4776.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4768.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4778.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O	4720.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4745.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4737.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4733.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4729.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4738.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4732.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O	4747.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4742.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4734.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4732.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4736.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O)C(O)C1O	4781.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4797.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4787.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4795.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4792.7	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4723.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4780.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)/C2=C\C#N)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4790.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4774.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4768.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4778.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O)C1O	4767.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O	4761.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4821.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O	4816.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O	4784.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4724.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C1O	4784.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #71	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O)C1O	4762.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #72	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4784.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #73	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	4779.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #74	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C1O	4748.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #75	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C1O	4747.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #76	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)/C(=C/C#N)C1O	4786.8	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #77	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	4784.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #78	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C1O	4750.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #79	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4752.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4723.4	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #80	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)/C(=C/C#N)C1O	4801.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #81	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C1O	4802.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #82	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	4816.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #83	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4799.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #84	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O)C2O)C1O	4802.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #85	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)/C2=C\C#N)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4783.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #86	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C(O)C1O	4785.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #87	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O	4794.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #88	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)/C(=C/C#N)C1O	4799.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #89	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4745.3	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)/C(=C/C#N)C(O)C2O)C(O)C(O)C1O	4751.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #90	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)/C2=C\C#N)C1O	4745.6	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #91	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)/C2=C\C#N)C1O	4744.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #92	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)/C(=C/C#N)C1O	4766.5	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #93	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	4766.1	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #94	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)C1O	4750.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #95	CC(C)(C)[Si](C)(C)OC1C(OC2CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C(O)C2O)OC(CO)C(O)C1O	4754.2	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #96	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	4768.0	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #97	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)/C(=C/C#N)C1O	4768.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #98	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)/C(=C/C#N)C1O	4804.9	Semi standard non polar	33892256
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin,3TBDMS,isomer #99	CC(C)(C)[Si](C)(C)OC1/C(=C\C#N)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	4795.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0036-3301900000-b1c29a35b87854812664	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (2 TMS) - 70eV, Positive	splash10-0079-7802119000-6b178339a0eaf28d6139	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_2_39) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_3_27) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_3_82) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_3_99) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_3_110) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_3_113) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_3_115) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_3_116) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_40) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_55) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_65) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_75) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_76) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_77) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_152) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_162) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_168) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_173) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_174) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_182) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_190) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_194) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin GC-MS (TMS_4_195) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 10V, Positive-QTOF	splash10-001j-0209210000-ba89aa2d5bc38cca8d90	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 20V, Positive-QTOF	splash10-001i-0709000000-fea6f65eaf372ee69236	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 40V, Positive-QTOF	splash10-001i-3903000000-13f8c380689a300b05a6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 10V, Negative-QTOF	splash10-0a6s-1239450000-f19b3f3013d3da597b60	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 20V, Negative-QTOF	splash10-00mk-1619200000-8fe3a8f0ce64d79f66df	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 40V, Negative-QTOF	splash10-003r-3943000000-d44bfc28ebf42b6794be	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 10V, Negative-QTOF	splash10-0a4i-0005390000-1b3d2b115afbb9757ac1	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 20V, Negative-QTOF	splash10-052b-5209510000-e453d8f157994b04bc69	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 40V, Negative-QTOF	splash10-001i-4912100000-ece2b76aeaf2717422f0	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 10V, Positive-QTOF	splash10-03ea-0009240000-a9d2de01a1e08e775280	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 20V, Positive-QTOF	splash10-0feg-0609710000-6c627a6604c49540533d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin 40V, Positive-QTOF	splash10-05w4-5907300000-313b02af54c13eca0b49	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017664

KNApSAcK ID

C00054415

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752336

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin (HMDB0038329)

MOL for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

3D MOL for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

3D SDF for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

3D-SDF for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

PDB for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

3D PDB for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

SMILES for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

INCHI for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

Structure for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

3D Structure for HMDB0038329 (Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra