Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:30:38 UTC

Update Date

2022-03-07 02:55:41 UTC

HMDB ID

HMDB0038228

Secondary Accession Numbers

HMDB38228

Metabolite Identification

Common Name

4-O-alpha-D-Galactopyranosylcalystegine B2

Description

4-O-alpha-D-Galactopyranosylcalystegine B2 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. 4-O-alpha-D-Galactopyranosylcalystegine B2 has been detected, but not quantified in, fruits. This could make 4-O-alpha-D-galactopyranosylcalystegine B2 a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 4-O-alpha-D-Galactopyranosylcalystegine B2.

Structure

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

HMDB0038228
     RDKit          3D
4-O-alpha-D-Galactopyranosylcalystegine B2
 46 48  0  0  0  0  0  0  0  0999 V2000
    2.8066    2.3145    0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    2.1135   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623    0.7345   -0.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336    0.5115   -1.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497    0.0623    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042   -0.0367   -0.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048    0.5735    0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920   -0.3749    1.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810   -1.6294    0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970   -1.3129   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6456    0.1420   -0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9162    0.4406   -0.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153    0.2079    0.9571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588    1.0859   -1.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447    0.5121   -2.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005    1.7349   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554    2.3863    0.8521 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5788   -1.3112    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688   -1.8153    1.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281   -1.0662    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6524   -2.2871    1.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226   -0.2943   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4446   -1.2172   -1.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995    2.0198    1.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961    2.9188   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752    2.1526   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108    0.7392   -1.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    0.6592    0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256    1.0168    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0502   -0.6389    2.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091   -1.9616   -0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814   -2.4223    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119   -1.9122   -0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9805   -1.5247   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   -0.1243   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1944   -0.4414    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    1.9178   -1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024    0.3282   -2.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691    2.4173   -0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4279    2.8110    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279   -1.9406   -0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7405   -2.7976    1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9481   -0.5124    1.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502   -2.8347    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603    0.2068    0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2513   -1.5509   -0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  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
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
 13  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 12 35  1  0
 13 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  0
 23 46  1  0
M  END


  Mrv0541 05061310192D          

 23 25  0  0  0  0            999 V2000
    0.7400   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1197   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5396   -1.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3322   -1.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201   -0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7128    0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9176    0.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1275   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3297   -0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824   -0.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   -2.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7153   -0.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3007    0.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7102    1.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6267   -2.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    0.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765   -0.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135    0.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22  5  1  0  0  0  0
 22 12  1  0  0  0  0
 23 10  1  0  0  0  0
 23 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038228

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C13H23NO9/c15-3-5-6(16)7(17)8(18)12(22-5)23-10-4-1-2-13(21,14-4)11(20)9(10)19/h4-12,14-21H,1-3H2

> <INCHI_KEY>
IWKGAFMTKIYREN-UHFFFAOYSA-N

> <FORMULA>
C13H23NO9

> <MOLECULAR_WEIGHT>
337.323

> <EXACT_MASS>
337.137281339

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
32.33191734904078

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,3-triol

> <ALOGPS_LOGP>
-2.50

> <JCHEM_LOGP>
-3.919297787666666

> <ALOGPS_LOGS>
0.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.403912068899825

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.876031955311333

> <JCHEM_PKA_STRONGEST_BASIC>
8.499037619978546

> <JCHEM_POLAR_SURFACE_AREA>
172.09999999999997

> <JCHEM_REFRACTIVITY>
71.4843

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.45e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,3-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038228
     RDKit          3D
4-O-alpha-D-Galactopyranosylcalystegine B2
 46 48  0  0  0  0  0  0  0  0999 V2000
    2.8066    2.3145    0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    2.1135   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623    0.7345   -0.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336    0.5115   -1.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497    0.0623    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042   -0.0367   -0.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048    0.5735    0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920   -0.3749    1.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810   -1.6294    0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970   -1.3129   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6456    0.1420   -0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9162    0.4406   -0.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153    0.2079    0.9571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588    1.0859   -1.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447    0.5121   -2.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005    1.7349   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554    2.3863    0.8521 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5788   -1.3112    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688   -1.8153    1.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281   -1.0662    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6524   -2.2871    1.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226   -0.2943   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4446   -1.2172   -1.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995    2.0198    1.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961    2.9188   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752    2.1526   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108    0.7392   -1.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    0.6592    0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256    1.0168    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0502   -0.6389    2.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091   -1.9616   -0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814   -2.4223    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119   -1.9122   -0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9805   -1.5247   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   -0.1243   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1944   -0.4414    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    1.9178   -1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024    0.3282   -2.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691    2.4173   -0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4279    2.8110    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279   -1.9406   -0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7405   -2.7976    1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9481   -0.5124    1.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502   -2.8347    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603    0.2068    0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2513   -1.5509   -0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  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
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
 13  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 12 35  1  0
 13 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  0
 23 46  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       1.381  -2.363   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.223  -3.066   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.474  -3.478   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.980  -1.040   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.087  -1.987   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.184  -0.907   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.797   0.584   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.313   0.994   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.971  -2.537   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.713  -1.011   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.008  -1.737   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.215  -0.087   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.194  -1.737   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       1.087  -0.065   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0       9.958  -3.888   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      10.669  -1.317   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       9.895   1.664   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       6.926   2.484   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       4.903  -3.844   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.986   0.087   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -0.329  -1.113   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.602  -1.577   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.692   0.334   0.000  0.00  0.00           O+0
CONECT    1    2    4                                                       
CONECT    2    1   13                                                       
CONECT    3    5   15                                                       
CONECT    4    1   10   14                                                  
CONECT    5    3    6   22                                                  
CONECT    6    5    7   16                                                  
CONECT    7    6    8   17                                                  
CONECT    8    7   12   18                                                  
CONECT    9   10   11   19                                                  
CONECT   10    4    9   23                                                  
CONECT   11    9   13   20                                                  
CONECT   12    8   22   23                                                  
CONECT   13    2   11   14   21                                             
CONECT   14    4   13                                                       
CONECT   15    3                                                            
CONECT   16    6                                                            
CONECT   17    7                                                            
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20   11                                                            
CONECT   21   13                                                            
CONECT   22    5   12                                                       
CONECT   23   10   12                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

COMPND    HMDB0038228
HETATM    1  O1  UNL     1       2.807   2.314   0.875  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.356   2.114  -0.374  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.062   0.734  -0.934  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.734   0.511  -1.063  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.050   0.062   0.027  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.304  -0.037  -0.227  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.105   0.573   0.698  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.192  -0.375   1.129  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.281  -1.629   0.303  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.297  -1.313  -0.736  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.646   0.142  -0.509  1.00  0.00           C  
HETATM   12  O4  UNL     1      -4.916   0.441  -0.946  1.00  0.00           O  
HETATM   13  N1  UNL     1      -3.515   0.208   0.957  1.00  0.00           N  
HETATM   14  C9  UNL     1      -2.659   1.086  -1.095  1.00  0.00           C  
HETATM   15  O5  UNL     1      -1.845   0.512  -2.067  1.00  0.00           O  
HETATM   16  C10 UNL     1      -1.801   1.735  -0.038  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.655   2.386   0.852  1.00  0.00           O  
HETATM   18  C11 UNL     1       1.579  -1.311   0.377  1.00  0.00           C  
HETATM   19  O7  UNL     1       0.869  -1.815   1.468  1.00  0.00           O  
HETATM   20  C12 UNL     1       3.028  -1.066   0.822  1.00  0.00           C  
HETATM   21  O8  UNL     1       3.652  -2.287   1.076  1.00  0.00           O  
HETATM   22  C13 UNL     1       3.823  -0.294  -0.155  1.00  0.00           C  
HETATM   23  O9  UNL     1       4.445  -1.217  -1.029  1.00  0.00           O  
HETATM   24  H1  UNL     1       3.399   2.020   1.610  1.00  0.00           H  
HETATM   25  H2  UNL     1       3.096   2.919  -1.096  1.00  0.00           H  
HETATM   26  H3  UNL     1       4.475   2.153  -0.235  1.00  0.00           H  
HETATM   27  H4  UNL     1       3.511   0.739  -1.973  1.00  0.00           H  
HETATM   28  H5  UNL     1       1.159   0.659   0.956  1.00  0.00           H  
HETATM   29  H6  UNL     1      -0.526   1.017   1.548  1.00  0.00           H  
HETATM   30  H7  UNL     1      -2.050  -0.639   2.218  1.00  0.00           H  
HETATM   31  H8  UNL     1      -1.309  -1.962  -0.121  1.00  0.00           H  
HETATM   32  H9  UNL     1      -2.681  -2.422   1.003  1.00  0.00           H  
HETATM   33  H10 UNL     1      -4.212  -1.912  -0.555  1.00  0.00           H  
HETATM   34  H11 UNL     1      -2.980  -1.525  -1.772  1.00  0.00           H  
HETATM   35  H12 UNL     1      -5.550  -0.124  -0.405  1.00  0.00           H  
HETATM   36  H13 UNL     1      -4.194  -0.441   1.408  1.00  0.00           H  
HETATM   37  H14 UNL     1      -3.203   1.918  -1.621  1.00  0.00           H  
HETATM   38  H15 UNL     1      -2.402   0.328  -2.866  1.00  0.00           H  
HETATM   39  H16 UNL     1      -1.069   2.417  -0.485  1.00  0.00           H  
HETATM   40  H17 UNL     1      -3.428   2.811   0.398  1.00  0.00           H  
HETATM   41  H18 UNL     1       1.528  -1.941  -0.515  1.00  0.00           H  
HETATM   42  H19 UNL     1       0.741  -2.798   1.305  1.00  0.00           H  
HETATM   43  H20 UNL     1       2.948  -0.512   1.786  1.00  0.00           H  
HETATM   44  H21 UNL     1       3.650  -2.835   0.234  1.00  0.00           H  
HETATM   45  H22 UNL     1       4.660   0.207   0.375  1.00  0.00           H  
HETATM   46  H23 UNL     1       5.251  -1.551  -0.608  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   16   29
CONECT    8    9   13   30
CONECT    9   10   31   32
CONECT   10   11   33   34
CONECT   11   12   13   14
CONECT   12   35
CONECT   13   36
CONECT   14   15   16   37
CONECT   15   38
CONECT   16   17   39
CONECT   17   40
CONECT   18   19   20   41
CONECT   19   42
CONECT   20   21   22   43
CONECT   21   44
CONECT   22   23   45
CONECT   23   46
END

HMDB0038228
     RDKit          3D
4-O-alpha-D-Galactopyranosylcalystegine B2
 46 48  0  0  0  0  0  0  0  0999 V2000
    2.8066    2.3145    0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    2.1135   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623    0.7345   -0.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336    0.5115   -1.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497    0.0623    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042   -0.0367   -0.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048    0.5735    0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920   -0.3749    1.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810   -1.6294    0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970   -1.3129   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6456    0.1420   -0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9162    0.4406   -0.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153    0.2079    0.9571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588    1.0859   -1.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447    0.5121   -2.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005    1.7349   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554    2.3863    0.8521 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5788   -1.3112    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688   -1.8153    1.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281   -1.0662    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6524   -2.2871    1.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226   -0.2943   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4446   -1.2172   -1.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995    2.0198    1.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961    2.9188   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752    2.1526   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108    0.7392   -1.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    0.6592    0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256    1.0168    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0502   -0.6389    2.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091   -1.9616   -0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814   -2.4223    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119   -1.9122   -0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9805   -1.5247   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   -0.1243   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1944   -0.4414    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    1.9178   -1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024    0.3282   -2.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691    2.4173   -0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4279    2.8110    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279   -1.9406   -0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7405   -2.7976    1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9481   -0.5124    1.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502   -2.8347    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603    0.2068    0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2513   -1.5509   -0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  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
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
 13  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 12 35  1  0
 13 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  0
 23 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-O-a-D-Galactopyranosylcalystegine b2	Generator
4-O-Α-D-galactopyranosylcalystegine b2	Generator

Chemical Formula

C₁₃H₂₃NO₉

Average Molecular Weight

337.323

Monoisotopic Molecular Weight

337.137281339

IUPAC Name

4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,3-triol

Traditional Name

4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,3-triol

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C13H23NO9/c15-3-5-6(16)7(17)8(18)12(22-5)23-10-4-1-2-13(21,14-4)11(20)9(10)19/h4-12,14-21H,1-3H2

InChI Key

IWKGAFMTKIYREN-UHFFFAOYSA-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
Tropane alkaloid
Monosaccharide
Oxane
Piperidine
Pyrrolidine
Cyclic alcohol
Secondary alcohol
Hemiaminal
Oxacycle
Secondary amine
Azacycle
Polyol
Organoheterocyclic compound
Alkanolamine
Secondary aliphatic amine
Acetal
Hydrocarbon derivative
Organic nitrogen compound
Organopnictogen compound
Organonitrogen compound
Amine
Alcohol
Primary alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038228)
Cytoplasm (HMDB: HMDB0038228)

Cytoplasm (HMDB: HMDB0038228)
Extracellular (HMDB: HMDB0038228)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038228)

Source

Exogenous

Food

Food (HMDB: HMDB0038228)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0038228)

Not Available

Nutrient (HMDB: HMDB0038228)

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	445 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-3.9	ChemAxon
logS	0.12	ALOGPS
pKa (Strongest Acidic)	11.88	ChemAxon
pKa (Strongest Basic)	8.5	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	172.1 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	71.48 m³·mol⁻¹	ChemAxon
Polarizability	32.33 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	179.309	31661259
DarkChem	[M-H]-	173.8	31661259
DeepCCS	[M+H]+	173.44	30932474
DeepCCS	[M-H]-	171.082	30932474
DeepCCS	[M-2H]-	204.529	30932474
DeepCCS	[M+Na]+	179.757	30932474
AllCCS	[M+H]+	178.7	32859911
AllCCS	[M+H-H2O]+	175.9	32859911
AllCCS	[M+NH4]+	181.4	32859911
AllCCS	[M+Na]+	182.2	32859911
AllCCS	[M-H]-	175.9	32859911
AllCCS	[M+Na-2H]-	175.1	32859911
AllCCS	[M+HCOO]-	174.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4-O-alpha-D-Galactopyranosylcalystegine B2	OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O	3862.6	Standard polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2	OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O	2989.4	Standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2	OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O	3069.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4-O-alpha-D-Galactopyranosylcalystegine B2,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O	3092.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TMS,isomer #2	C[Si](C)(C)OC12CCC(N1)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O	3065.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C2CCC1(O)N2	3041.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TMS,isomer #4	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O)(N2)C1O	3065.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O)C2O)OC(CO)C(O)C1O	3098.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C1O	3085.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TMS,isomer #7	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C1O	3090.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TMS,isomer #8	C[Si](C)(C)N1C2CCC1(O)C(O)C(O)C2OC1OC(CO)C(O)C(O)C1O	3134.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O)C(O)C1O	3037.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #10	C[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)OC(CO)C(O)C1O	3022.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #11	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O[Si](C)(C)C)(N2)C1O	3010.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #12	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C2CCC1(O[Si](C)(C)C)N2	3009.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #13	C[Si](C)(C)OC12CCC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C1O)N2[Si](C)(C)C	3123.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #14	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O)(N2)C1O[Si](C)(C)C	3010.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O)C1O	3002.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #16	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C1O	2988.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #17	C[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	3000.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #18	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C2CCC1(O)N2[Si](C)(C)C	3093.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O)C1O	3002.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3021.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #20	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C1O	2984.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #21	C[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3005.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #22	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O)(C1O)N2[Si](C)(C)C	3095.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C)C1O	3048.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #24	C[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	3058.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #25	C[Si](C)(C)OC1C(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O	3104.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C1O[Si](C)(C)C	3064.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #27	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C1O	3084.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #28	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C1O	3112.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3023.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3081.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3071.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3083.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O)C1O	3097.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O)C1O	3016.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C1O	3006.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	2960.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2977.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O)C1O	3052.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2960.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2946.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2982.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O)C1O	3060.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3004.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3022.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3087.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3031.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	2950.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3072.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3091.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O)C1O	2977.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O)C1O	2974.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C)C1O	2976.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #25	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O)C1O[Si](C)(C)C	2989.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C1O	3096.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #27	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C1O	2964.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #28	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C1O	2968.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #29	C[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	2978.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	2984.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #30	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C1O	3084.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #31	C[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	2967.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #32	C[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2961.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #33	C[Si](C)(C)OC1C(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O	3088.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #34	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O[Si](C)(C)C)(N2)C1O[Si](C)(C)C	2979.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #35	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O[Si](C)(C)C)(C1O)N2[Si](C)(C)C	3079.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #36	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C2CCC1(O[Si](C)(C)C)N2[Si](C)(C)C	3081.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #37	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2967.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #38	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2940.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #39	C[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2956.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	2979.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #40	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O)(C1O[Si](C)(C)C)N2[Si](C)(C)C	3072.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #41	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2952.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #42	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2966.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C1O	3065.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #44	C[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	2957.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #45	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C1O	3052.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #46	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O	3052.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2957.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #48	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2978.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #49	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C1O	3080.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	2999.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #50	C[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2959.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #51	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C1O	3055.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #52	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O	3073.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3022.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #54	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3082.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #55	C[Si](C)(C)OC1C(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3086.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3088.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O)C1O	3086.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2954.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2962.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2955.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2831.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2878.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2901.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3044.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2909.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3038.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3060.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2833.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2806.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2853.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O)C1O	2997.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2856.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2842.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2866.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3013.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2876.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2997.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3025.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2860.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2884.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3028.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2885.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2856.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3011.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3037.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2959.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3043.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3051.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3057.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2892.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #37	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2892.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #38	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2892.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #39	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C1O	3036.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2879.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #40	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2898.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #41	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2902.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #42	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C1O	3042.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2907.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3046.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3059.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #46	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2859.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #47	C[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	2868.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #48	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C1O	3018.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #49	C[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2877.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O)C1O	3016.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #50	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C1O	3030.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #51	C[Si](C)(C)OC1C(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3050.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #52	C[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2861.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #53	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O	3026.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #54	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O	3030.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #55	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O[Si](C)(C)C)(C1O[Si](C)(C)C)N2[Si](C)(C)C	3025.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2870.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #57	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2869.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #58	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C1O	3024.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #59	C[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2844.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2850.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #60	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C1O	2992.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #61	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O	3011.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #62	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2882.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #63	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3012.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #64	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3027.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #65	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3017.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2908.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #67	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3032.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #68	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3044.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #69	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3033.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2851.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3084.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2879.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O)C1O	3017.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2744.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2982.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2742.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2778.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2961.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2776.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2960.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2986.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2830.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2986.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3000.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2724.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2999.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2713.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2738.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2919.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2743.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2902.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2941.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2781.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2944.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2958.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2769.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2959.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2796.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2945.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2958.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2965.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3015.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2773.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #37	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2760.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #38	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C1O	2979.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #39	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2771.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O)C1O	2955.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #40	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2974.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #41	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2976.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #42	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2793.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2980.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2981.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3006.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #46	C[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2736.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #47	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C1O	2941.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #48	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2961.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #49	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2968.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2738.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #50	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O	2953.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #51	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2767.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #52	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2934.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2930.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #54	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2917.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #55	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2971.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2984.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2757.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2958.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2768.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2960.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2652.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2920.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2666.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2905.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2922.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2928.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2956.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2627.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2834.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2845.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2863.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2665.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2895.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2907.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2664.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2893.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2900.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #25	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2911.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2922.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #27	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2867.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #28	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2852.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2877.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2678.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2885.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2910.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2674.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2890.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,6TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2907.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,7TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C)(N3)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2647.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,7TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2835.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,7TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2851.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,7TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2876.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,7TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2886.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,7TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2897.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,7TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2832.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,7TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3(O[Si](C)(C)C)CCC2N3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2856.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O	3315.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC12CCC(N1)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O	3294.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C2CCC1(O)N2	3270.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O)(N2)C1O	3293.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O)C2O)OC(CO)C(O)C1O	3330.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C1O	3327.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C1O	3329.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C2CCC1(O)C(O)C(O)C2OC1OC(CO)C(O)C(O)C1O	3406.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O)C(O)C1O	3446.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)OC(CO)C(O)C1O	3464.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O[Si](C)(C)C(C)(C)C)(N2)C1O	3463.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C2CCC1(O[Si](C)(C)C(C)(C)C)N2	3459.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC12CCC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C1O)N2[Si](C)(C)C(C)(C)C	3607.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O)(N2)C1O[Si](C)(C)C(C)(C)C	3441.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3465.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3466.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	3444.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C2CCC1(O)N2[Si](C)(C)C(C)(C)C	3563.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3443.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3427.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3443.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3422.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O)(C1O)N2[Si](C)(C)C(C)(C)C	3555.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3480.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3483.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3549.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3483.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C1O	3547.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O	3558.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3425.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3476.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3482.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3476.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3552.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O)C1O	3479.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C1O	3481.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3569.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3571.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3719.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3514.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3556.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3537.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3687.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3581.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3585.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3698.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3592.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3566.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3706.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3710.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3616.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3613.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3583.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3597.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O	3743.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3605.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3616.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3592.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3561.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C1O	3735.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	3591.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3577.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3727.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O[Si](C)(C)C(C)(C)C)(N2)C1O[Si](C)(C)C(C)(C)C	3598.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O[Si](C)(C)C(C)(C)C)(C1O)N2[Si](C)(C)C(C)(C)C	3749.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C2CCC1(O[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3753.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3580.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3573.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3544.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3589.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O)(C1O[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3723.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3589.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3597.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O	3717.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3596.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C1O	3712.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3696.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3540.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3556.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O	3694.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3577.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3546.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C1O	3692.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3680.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3583.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3690.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3701.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3696.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3734.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3530.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3557.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3583.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3670.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3697.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3708.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3870.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3720.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3890.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3886.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3650.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3688.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3664.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3868.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3696.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3705.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3712.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3865.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3713.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3890.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3882.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3663.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3668.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3835.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3688.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3720.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3857.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3850.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3689.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3867.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3861.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3874.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3703.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3725.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3727.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O	3907.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3707.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3712.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3730.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O	3897.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3685.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3875.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3880.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3717.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3722.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C1O	3906.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3715.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3901.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C1O	3902.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3891.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3673.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3893.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3883.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C2CCC(O[Si](C)(C)C(C)(C)C)(C1O[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3921.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3668.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3683.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O	3871.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1C(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3671.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3685.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C1O	3878.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3858.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3686.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3866.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3876.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3886.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C3CCC(O)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3640.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3839.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3848.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3858.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3730.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C3(O)CCC2N3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3856.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C3CCC(O[Si](C)(C)C(C)(C)C)(N3)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3709.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranosylcalystegine B2,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C3(O[Si](C)(C)C(C)(C)C)CCC2N3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3890.2	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 - 4-O-alpha-D-Galactopyranosylcalystegine B2 GC-MS (Non-derivatized) - 70eV, Positive	splash10-001r-9524000000-56c404fde0ca6793bd16	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 GC-MS (5 TMS) - 70eV, Positive	splash10-053r-1422009000-fb28967b65aa02dc86ce	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 GC-MS (TBDMS_3_55) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 GC-MS (TBDMS_4_51) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 GC-MS (TBDMS_4_59) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 GC-MS (TBDMS_4_65) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 GC-MS ("4-O-alpha-D-Galactopyranosylcalystegine B2,3TBDMS,#55" TMS) - 70eV, Positive	Not Available	2021-10-14	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 - 4-O-alpha-D-Galactopyranosylcalystegine B2 10V, Positive-QTOF	splash10-004r-0905000000-c18ece4fac6817ebfb2d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 20V, Positive-QTOF	splash10-056r-0900000000-50e421e42d9f97f77afe	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 40V, Positive-QTOF	splash10-0a6r-4900000000-61eb6afa36ca75b4a602	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 10V, Negative-QTOF	splash10-0079-1719000000-e90ed39e97b46d287c62	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 20V, Negative-QTOF	splash10-00di-1901000000-724d190d9bf4f3d39bfd	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 40V, Negative-QTOF	splash10-06zc-7900000000-ab379f4daca0b8ddf06e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 10V, Negative-QTOF	splash10-000i-0009000000-2592bfd72c2f47acdd28	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 20V, Negative-QTOF	splash10-052r-2439000000-e18865a8964924581aa9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 40V, Negative-QTOF	splash10-0ab9-7920000000-4070c952bbd1fe9ba400	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 10V, Positive-QTOF	splash10-000i-0309000000-b20e9028766ba1dca0e9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 20V, Positive-QTOF	splash10-0a6r-1922000000-27767aa37ba18ad3462f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranosylcalystegine B2 40V, Positive-QTOF	splash10-05bs-9611000000-aa78e0c9b108dc3f8004	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹H 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

FDB017473

KNApSAcK ID

Not Available

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

75092867

PDB ID

Not Available

ChEBI ID

168961

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 4-O-alpha-D-Galactopyranosylcalystegine B2 (HMDB0038228)

MOL for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

3D MOL for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

3D SDF for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

3D-SDF for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

PDB for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

3D PDB for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

SMILES for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

INCHI for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

Structure for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

3D Structure for HMDB0038228 (4-O-alpha-D-Galactopyranosylcalystegine B2)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra