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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 19:58:31 UTC

Update Date

2022-03-07 02:54:20 UTC

HMDB ID

HMDB0035036

Secondary Accession Numbers

HMDB35036

Metabolite Identification

Common Name

Glaucarubolone 15-O-beta-D-glucopyranoside

Description

Glaucarubolone 15-O-beta-D-glucopyranoside belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring. Glaucarubolone 15-O-beta-D-glucopyranoside is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

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


  Mrv0541 05061308122D          

 39 44  0  0  0  0            999 V2000
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268    2.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
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 11  4  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
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 17 16  1  0  0  0  0
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 37 22  1  0  0  0  0
 38 13  1  0  0  0  0
 38 21  1  0  0  0  0
 39 18  1  0  0  0  0
 39 22  1  0  0  0  0
M  END

HMDB0035036
     RDKit          3D
Glaucarubolone 15-O-beta-D-glucopyranoside
 75 80  0  0  0  0  0  0  0  0999 V2000
   -5.7463   -1.2202    1.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8748   -0.0356    1.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0543   -1.4718    0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136   -1.4101    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 75  1  0
M  END


  Mrv0541 05061308122D          

 39 44  0  0  0  0            999 V2000
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2538    3.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    3.3682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 24  3  1  0  0  0  0
 24 10  1  0  0  0  0
 24 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25  7  1  0  0  0  0
 25 13  1  0  0  0  0
 25 14  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 26 23  1  0  0  0  0
 27  6  1  0  0  0  0
 28 11  2  0  0  0  0
 29 15  1  0  0  0  0
 30 16  1  0  0  0  0
 31 17  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 21  2  0  0  0  0
 35 26  1  0  0  0  0
 36  7  1  0  0  0  0
 36 26  1  0  0  0  0
 37 12  1  0  0  0  0
 37 22  1  0  0  0  0
 38 13  1  0  0  0  0
 38 21  1  0  0  0  0
 39 18  1  0  0  0  0
 39 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035036

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1C(O)C2(O)OCC34C2C2(C)C(O)C(=O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14

> <INCHI_IDENTIFIER>
InChI=1S/C26H36O13/c1-8-4-11(28)20(33)24(3)10(8)5-13-25-7-36-26(35,23(24)25)19(32)9(2)14(25)18(21(34)38-13)39-22-17(31)16(30)15(29)12(6-27)37-22/h4,9-10,12-20,22-23,27,29-33,35H,5-7H2,1-3H3

> <INCHI_KEY>
JHMBJTQGIQFIOP-UHFFFAOYSA-N

> <FORMULA>
C26H36O13

> <MOLECULAR_WEIGHT>
556.5562

> <EXACT_MASS>
556.215591238

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
55.41447752561257

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5,17-trihydroxy-6,14,18-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione

> <ALOGPS_LOGP>
-1.27

> <JCHEM_LOGP>
-2.547525673666667

> <ALOGPS_LOGS>
-1.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.147256002048369

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.87258910763798

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083710751861

> <JCHEM_POLAR_SURFACE_AREA>
212.66999999999996

> <JCHEM_REFRACTIVITY>
126.78459999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.71e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5,17-trihydroxy-6,14,18-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0035036
     RDKit          3D
Glaucarubolone 15-O-beta-D-glucopyranoside
 75 80  0  0  0  0  0  0  0  0999 V2000
   -5.7463   -1.2202    1.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8748   -0.0356    1.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3671    1.1730    1.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5503    2.3720    1.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0449    3.4769    1.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1405    2.2723    0.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087    1.9874    2.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254    1.0022    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2980    1.1266   -0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309   -0.1127    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0543   -1.4718    0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136   -1.4101    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281   -2.6576   -0.0903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3549   -2.6259   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9796   -3.6815   -0.3536 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -1.2391   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -1.4561   -0.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2597   -1.1458    0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9143   -2.2580    0.6109 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7845   -1.9859    1.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469   -1.4032    2.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1390   -1.1797    3.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461   -1.1224    1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2784   -0.2801    2.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435   -0.3725   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135   -1.0656   -1.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846   -0.0948   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8559    1.1160    0.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1391   -0.4819   -1.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389    0.8337   -1.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    0.6293   -2.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426    1.8575   -2.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843    2.2172   -3.4768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907    1.5512   -1.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3855    2.7276   -2.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0357    0.5616   -2.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -0.6467   -2.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097   -0.4371   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    0.9429   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7956   -0.8975    1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208   -1.8145    2.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6904   -1.9072    0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4049    1.2729    1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8529    3.1545    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8015    1.8721    2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0839    1.1369   -1.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0478    0.2927   -0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9129    2.0598   -0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8834    0.0210    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7204   -1.8399   -0.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1694   -2.1819    1.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812   -1.0175    1.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9162   -0.8071    0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6773   -0.7573    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872   -2.9911    1.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198   -0.3712    2.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200   -2.0924    3.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201   -0.3920    4.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8113   -1.7889    1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2515   -0.2642    2.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    0.5884   -0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648   -0.9763   -1.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828    0.0975   -1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7173    1.8591   -0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -1.1468   -2.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277    1.2074   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495    0.7054   -3.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    1.4507   -2.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.3784   -2.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    2.8120   -1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    3.1601   -3.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8132    3.4985   -1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1056   -1.0496   -2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5440   -1.3866   -2.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0391    1.4085    0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 16 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 10  2  1  0
 38 12  1  0
 39  8  1  0
 27 18  1  0
 38 29  1  0
 39 34  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  6 44  1  0
  7 45  1  0
  9 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 11 50  1  0
 11 51  1  0
 12 52  1  0
 16 53  1  0
 18 54  1  0
 20 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
 31 67  1  0
 31 68  1  0
 31 69  1  0
 32 70  1  0
 33 71  1  0
 35 72  1  0
 37 73  1  0
 37 74  1  0
 39 75  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       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.610   4.993   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.002   1.540   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -5.335   6.160   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       4.207   6.188   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.816   6.287   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2    9                                                            
CONECT    3   24                                                            
CONECT    4    8   11                                                       
CONECT    5   10   13                                                       
CONECT    6   12   27                                                       
CONECT    7   25   36                                                       
CONECT    8    1    4   10                                                  
CONECT    9    2   14   19                                                  
CONECT   10    5    8   24                                                  
CONECT   11    4   20   28                                                  
CONECT   12    6   15   37                                                  
CONECT   13    5   25   38                                                  
CONECT   14    9   18   25                                                  
CONECT   15   12   16   29                                                  
CONECT   16   15   17   30                                                  
CONECT   17   16   22   31                                                  
CONECT   18   14   21   39                                                  
CONECT   19    9   26   32                                                  
CONECT   20   11   24   33                                                  
CONECT   21   18   34   38                                                  
CONECT   22   17   37   39                                                  
CONECT   23   24   25   26                                                  
CONECT   24    3   10   20   23                                             
CONECT   25    7   13   14   23                                             
CONECT   26   19   23   35   36                                             
CONECT   27    6                                                            
CONECT   28   11                                                            
CONECT   29   15                                                            
CONECT   30   16                                                            
CONECT   31   17                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   26                                                            
CONECT   36    7   26                                                       
CONECT   37   12   22                                                       
CONECT   38   13   21                                                       
CONECT   39   18   22                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

COMPND    HMDB0035036
HETATM    1  C1  UNL     1      -5.746  -1.220   1.514  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.875  -0.036   1.391  1.00  0.00           C  
HETATM    3  C3  UNL     1      -5.367   1.173   1.584  1.00  0.00           C  
HETATM    4  C4  UNL     1      -4.550   2.372   1.474  1.00  0.00           C  
HETATM    5  O1  UNL     1      -5.045   3.477   1.815  1.00  0.00           O  
HETATM    6  C5  UNL     1      -3.141   2.272   0.960  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.309   1.987   2.041  1.00  0.00           O  
HETATM    8  C6  UNL     1      -3.125   1.002   0.083  1.00  0.00           C  
HETATM    9  C7  UNL     1      -4.298   1.127  -0.838  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.431  -0.113   1.056  1.00  0.00           C  
HETATM   11  C9  UNL     1      -3.054  -1.472   0.517  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.614  -1.410   0.181  1.00  0.00           C  
HETATM   13  O3  UNL     1      -1.028  -2.658  -0.090  1.00  0.00           O  
HETATM   14  C11 UNL     1       0.355  -2.626  -0.252  1.00  0.00           C  
HETATM   15  O4  UNL     1       0.980  -3.682  -0.354  1.00  0.00           O  
HETATM   16  C12 UNL     1       0.976  -1.239  -0.287  1.00  0.00           C  
HETATM   17  O5  UNL     1       2.245  -1.456  -0.743  1.00  0.00           O  
HETATM   18  C13 UNL     1       3.260  -1.146   0.172  1.00  0.00           C  
HETATM   19  O6  UNL     1       3.914  -2.258   0.611  1.00  0.00           O  
HETATM   20  C14 UNL     1       4.785  -1.986   1.620  1.00  0.00           C  
HETATM   21  C15 UNL     1       4.147  -1.403   2.857  1.00  0.00           C  
HETATM   22  O7  UNL     1       5.139  -1.180   3.852  1.00  0.00           O  
HETATM   23  C16 UNL     1       5.946  -1.122   1.184  1.00  0.00           C  
HETATM   24  O8  UNL     1       6.278  -0.280   2.238  1.00  0.00           O  
HETATM   25  C17 UNL     1       5.644  -0.372  -0.081  1.00  0.00           C  
HETATM   26  O9  UNL     1       6.114  -1.066  -1.196  1.00  0.00           O  
HETATM   27  C18 UNL     1       4.185  -0.095  -0.280  1.00  0.00           C  
HETATM   28  O10 UNL     1       3.856   1.116   0.368  1.00  0.00           O  
HETATM   29  C19 UNL     1       0.139  -0.482  -1.319  1.00  0.00           C  
HETATM   30  C20 UNL     1       0.739   0.834  -1.709  1.00  0.00           C  
HETATM   31  C21 UNL     1       1.663   0.629  -2.931  1.00  0.00           C  
HETATM   32  C22 UNL     1      -0.243   1.857  -2.120  1.00  0.00           C  
HETATM   33  O11 UNL     1      -0.084   2.217  -3.477  1.00  0.00           O  
HETATM   34  C23 UNL     1      -1.691   1.551  -1.916  1.00  0.00           C  
HETATM   35  O12 UNL     1      -2.385   2.728  -2.065  1.00  0.00           O  
HETATM   36  O13 UNL     1      -2.036   0.562  -2.822  1.00  0.00           O  
HETATM   37  C24 UNL     1      -2.111  -0.647  -2.169  1.00  0.00           C  
HETATM   38  C25 UNL     1      -1.310  -0.437  -0.913  1.00  0.00           C  
HETATM   39  C26 UNL     1      -1.799   0.943  -0.538  1.00  0.00           C  
HETATM   40  H1  UNL     1      -6.796  -0.898   1.595  1.00  0.00           H  
HETATM   41  H2  UNL     1      -5.421  -1.815   2.395  1.00  0.00           H  
HETATM   42  H3  UNL     1      -5.690  -1.907   0.650  1.00  0.00           H  
HETATM   43  H4  UNL     1      -6.405   1.273   1.831  1.00  0.00           H  
HETATM   44  H5  UNL     1      -2.853   3.154   0.395  1.00  0.00           H  
HETATM   45  H6  UNL     1      -2.801   1.872   2.878  1.00  0.00           H  
HETATM   46  H7  UNL     1      -4.084   1.137  -1.903  1.00  0.00           H  
HETATM   47  H8  UNL     1      -5.048   0.293  -0.691  1.00  0.00           H  
HETATM   48  H9  UNL     1      -4.913   2.060  -0.660  1.00  0.00           H  
HETATM   49  H10 UNL     1      -2.883   0.021   2.018  1.00  0.00           H  
HETATM   50  H11 UNL     1      -3.720  -1.840  -0.260  1.00  0.00           H  
HETATM   51  H12 UNL     1      -3.169  -2.182   1.389  1.00  0.00           H  
HETATM   52  H13 UNL     1      -1.081  -1.017   1.098  1.00  0.00           H  
HETATM   53  H14 UNL     1       0.916  -0.807   0.725  1.00  0.00           H  
HETATM   54  H15 UNL     1       2.677  -0.757   1.063  1.00  0.00           H  
HETATM   55  H16 UNL     1       5.187  -2.991   1.960  1.00  0.00           H  
HETATM   56  H17 UNL     1       3.720  -0.371   2.683  1.00  0.00           H  
HETATM   57  H18 UNL     1       3.420  -2.092   3.320  1.00  0.00           H  
HETATM   58  H19 UNL     1       4.920  -0.392   4.404  1.00  0.00           H  
HETATM   59  H20 UNL     1       6.811  -1.789   1.012  1.00  0.00           H  
HETATM   60  H21 UNL     1       7.252  -0.264   2.434  1.00  0.00           H  
HETATM   61  H22 UNL     1       6.196   0.588  -0.048  1.00  0.00           H  
HETATM   62  H23 UNL     1       5.465  -0.976  -1.950  1.00  0.00           H  
HETATM   63  H24 UNL     1       3.983   0.098  -1.376  1.00  0.00           H  
HETATM   64  H25 UNL     1       3.717   1.859  -0.271  1.00  0.00           H  
HETATM   65  H26 UNL     1       0.258  -1.147  -2.239  1.00  0.00           H  
HETATM   66  H27 UNL     1       1.428   1.207  -0.882  1.00  0.00           H  
HETATM   67  H28 UNL     1       1.049   0.705  -3.872  1.00  0.00           H  
HETATM   68  H29 UNL     1       2.391   1.451  -2.979  1.00  0.00           H  
HETATM   69  H30 UNL     1       2.087  -0.378  -2.932  1.00  0.00           H  
HETATM   70  H31 UNL     1       0.035   2.812  -1.571  1.00  0.00           H  
HETATM   71  H32 UNL     1      -0.268   3.160  -3.611  1.00  0.00           H  
HETATM   72  H33 UNL     1      -1.813   3.499  -1.770  1.00  0.00           H  
HETATM   73  H34 UNL     1      -3.106  -1.050  -2.031  1.00  0.00           H  
HETATM   74  H35 UNL     1      -1.544  -1.387  -2.800  1.00  0.00           H  
HETATM   75  H36 UNL     1      -1.039   1.408   0.121  1.00  0.00           H  
CONECT    1    2   40   41   42
CONECT    2    3    3   10
CONECT    3    4   43
CONECT    4    5    5    6
CONECT    6    7    8   44
CONECT    7   45
CONECT    8    9   10   39
CONECT    9   46   47   48
CONECT   10   11   49
CONECT   11   12   50   51
CONECT   12   13   38   52
CONECT   13   14
CONECT   14   15   15   16
CONECT   16   17   29   53
CONECT   17   18
CONECT   18   19   27   54
CONECT   19   20
CONECT   20   21   23   55
CONECT   21   22   56   57
CONECT   22   58
CONECT   23   24   25   59
CONECT   24   60
CONECT   25   26   27   61
CONECT   26   62
CONECT   27   28   63
CONECT   28   64
CONECT   29   30   38   65
CONECT   30   31   32   66
CONECT   31   67   68   69
CONECT   32   33   34   70
CONECT   33   71
CONECT   34   35   36   39
CONECT   35   72
CONECT   36   37
CONECT   37   38   73   74
CONECT   38   39
CONECT   39   75
END

HMDB0035036
     RDKit          3D
Glaucarubolone 15-O-beta-D-glucopyranoside
 75 80  0  0  0  0  0  0  0  0999 V2000
   -5.7463   -1.2202    1.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8748   -0.0356    1.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3671    1.1730    1.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5503    2.3720    1.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0449    3.4769    1.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1405    2.2723    0.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087    1.9874    2.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254    1.0022    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2980    1.1266   -0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309   -0.1127    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0543   -1.4718    0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136   -1.4101    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281   -2.6576   -0.0903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3549   -2.6259   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9796   -3.6815   -0.3536 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -1.2391   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -1.4561   -0.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2597   -1.1458    0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9143   -2.2580    0.6109 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7845   -1.9859    1.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469   -1.4032    2.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1390   -1.1797    3.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461   -1.1224    1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2784   -0.2801    2.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435   -0.3725   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135   -1.0656   -1.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846   -0.0948   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8559    1.1160    0.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1391   -0.4819   -1.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389    0.8337   -1.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    0.6293   -2.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426    1.8575   -2.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843    2.2172   -3.4768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907    1.5512   -1.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3855    2.7276   -2.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0357    0.5616   -2.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -0.6467   -2.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097   -0.4371   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992    0.9429   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7956   -0.8975    1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208   -1.8145    2.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6904   -1.9072    0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4049    1.2729    1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8529    3.1545    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8015    1.8721    2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0839    1.1369   -1.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0478    0.2927   -0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9129    2.0598   -0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8834    0.0210    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7204   -1.8399   -0.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1694   -2.1819    1.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812   -1.0175    1.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9162   -0.8071    0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6773   -0.7573    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872   -2.9911    1.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198   -0.3712    2.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200   -2.0924    3.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201   -0.3920    4.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8113   -1.7889    1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2515   -0.2642    2.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    0.5884   -0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648   -0.9763   -1.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828    0.0975   -1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7173    1.8591   -0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -1.1468   -2.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277    1.2074   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495    0.7054   -3.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    1.4507   -2.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.3784   -2.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    2.8120   -1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    3.1601   -3.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8132    3.4985   -1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1056   -1.0496   -2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5440   -1.3866   -2.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0391    1.4085    0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 16 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 10  2  1  0
 38 12  1  0
 39  8  1  0
 27 18  1  0
 38 29  1  0
 39 34  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  6 44  1  0
  7 45  1  0
  9 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 11 50  1  0
 11 51  1  0
 12 52  1  0
 16 53  1  0
 18 54  1  0
 20 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
 31 67  1  0
 31 68  1  0
 31 69  1  0
 32 70  1  0
 33 71  1  0
 35 72  1  0
 37 73  1  0
 37 74  1  0
 39 75  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Glaucarubolone 15-O-b-D-glucopyranoside	Generator
Glaucarubolone 15-O-β-D-glucopyranoside	Generator

Chemical Formula

C₂₆H₃₆O₁₃

Average Molecular Weight

556.5562

Monoisotopic Molecular Weight

556.215591238

IUPAC Name

4,5,17-trihydroxy-6,14,18-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione

Traditional Name

4,5,17-trihydroxy-6,14,18-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione

CAS Registry Number

89202-76-6

SMILES

CC1C(O)C2(O)OCC34C2C2(C)C(O)C(=O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14

InChI Identifier

InChI=1S/C26H36O13/c1-8-4-11(28)20(33)24(3)10(8)5-13-25-7-36-26(35,23(24)25)19(32)9(2)14(25)18(21(34)38-13)39-22-17(31)16(30)15(29)12(6-27)37-22/h4,9-10,12-20,22-23,27,29-33,35H,5-7H2,1-3H3

InChI Key

JHMBJTQGIQFIOP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Quassinoids

Alternative Parents

Substituents

C-20 quassinoid skeleton
Quassinoid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Naphthopyran
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Naphthalene
Cyclohexenone
Delta_valerolactone
Delta valerolactone
Oxepane
Fatty acyl
Monosaccharide
Pyran
Oxane
Tetrahydrofuran
Cyclic alcohol
Hemiacetal
Secondary alcohol
Cyclic ketone
Ketone
Lactone
Carboxylic acid ester
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Acetal
Polyol
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic oxide
Carbonyl group
Alcohol
Primary alcohol
Hydrocarbon derivative
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0035036)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0035036)

Source

Endogenous

Endogenous (HMDB: HMDB0035036)

Animal

Animal (HMDB: HMDB0035036)

Exogenous

Food

Food (HMDB: HMDB0035036)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0035036)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0035036)

Cellular process

Cell signaling (HMDB: HMDB0035036)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0035036)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0035036)

Nutrient

Nutrient (HMDB: HMDB0035036)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0035036)

Emulsifier (HMDB: HMDB0035036)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	252 - 254 °C	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	27.1 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-2.5	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	10.87	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	212.67 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	126.78 m³·mol⁻¹	ChemAxon
Polarizability	55.41 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	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]+	222.749	31661259
DarkChem	[M-H]-	213.225	31661259
DeepCCS	[M-2H]-	247.168	30932474
DeepCCS	[M+Na]+	222.592	30932474
AllCCS	[M+H]+	223.3	32859911
AllCCS	[M+H-H2O]+	222.1	32859911
AllCCS	[M+NH4]+	224.5	32859911
AllCCS	[M+Na]+	224.8	32859911
AllCCS	[M-H]-	221.9	32859911
AllCCS	[M+Na-2H]-	223.2	32859911
AllCCS	[M+HCOO]-	224.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glaucarubolone 15-O-beta-D-glucopyranoside	CC1C(O)C2(O)OCC34C2C2(C)C(O)C(=O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14	4618.3	Standard polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside	CC1C(O)C2(O)OCC34C2C2(C)C(O)C(=O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14	3917.2	Standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside	CC1C(O)C2(O)OCC34C2C2(C)C(O)C(=O)C=C(C)C2CC3OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C14	4579.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,isomer #1	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4508.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,isomer #2	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4525.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,isomer #3	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4496.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,isomer #4	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4486.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,isomer #5	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4498.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,isomer #6	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4503.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,isomer #7	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4473.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,isomer #8	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4334.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #1	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4447.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #10	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4454.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #11	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4450.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #12	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4434.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #13	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4301.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #14	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4420.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #15	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4431.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #16	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4420.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #17	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4407.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #18	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4242.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #19	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4431.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #2	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4441.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #20	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4439.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #21	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4414.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #22	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4281.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #23	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4439.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #24	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4432.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #25	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4300.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #26	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4445.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #27	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4305.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #28	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4281.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #3	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4451.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #4	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4445.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #5	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4429.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #6	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4471.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #7	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4295.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #8	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4458.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TMS,isomer #9	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4444.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #1	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4333.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #10	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4353.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #11	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4212.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #12	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4356.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #13	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4343.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #14	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4364.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #15	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4238.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #16	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4355.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #17	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4347.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #18	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4230.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #19	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4347.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #2	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4349.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #20	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4226.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #21	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4232.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #22	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4329.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #23	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4344.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #24	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4327.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #25	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4328.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #26	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4173.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #27	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4336.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #28	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4332.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #29	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4326.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #3	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4328.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #30	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4209.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #31	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4352.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #32	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4333.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #33	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4231.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #34	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4348.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #35	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4220.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #36	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4217.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #37	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4324.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #38	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4311.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #39	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4315.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #4	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4332.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #40	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4148.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #41	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4326.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #42	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4319.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #43	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4175.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #44	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4325.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #45	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4161.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #46	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4157.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #47	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4336.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #48	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4329.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #49	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4220.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #5	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4369.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #50	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4328.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #51	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4221.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #52	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4214.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #53	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4356.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #54	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4242.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #55	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4226.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #56	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4237.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #6	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4172.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #7	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4344.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #8	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4341.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TMS,isomer #9	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4336.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #1	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4188.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #10	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4187.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #11	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4193.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #12	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4057.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #13	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4218.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #14	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4063.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #15	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4083.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #16	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4215.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #17	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4208.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #18	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4222.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #19	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4118.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #2	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4166.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #20	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4208.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #21	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4200.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #22	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4099.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #23	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4216.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #24	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4108.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #25	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4117.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #26	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4223.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #27	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4221.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #28	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4121.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #29	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4228.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #3	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4182.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #30	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4120.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #31	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4133.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #32	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4220.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #33	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4113.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #34	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4105.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #35	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4120.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #36	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4189.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #37	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4170.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #38	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4184.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #39	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4047.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #4	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4211.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #40	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4195.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #41	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4205.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #42	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4071.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #43	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4197.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #44	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4055.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #45	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4060.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #46	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4217.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #47	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4207.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #48	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4117.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #49	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4209.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #5	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4047.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #50	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4098.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #51	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4109.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #52	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4226.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #53	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4120.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #54	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4121.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #55	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C)OCC13C42	4112.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #56	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4193.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #57	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4185.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #58	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4059.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #59	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4188.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #6	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4186.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #60	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4061.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #61	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4049.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #62	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4201.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #63	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4068.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #64	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4068.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #65	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4057.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #66	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4224.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #67	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4119.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #68	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4114.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #69	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4111.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #7	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4197.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #70	CC1=CC(O[Si](C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4128.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #8	CC1=CC(=O)C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O[Si](C)(C)C)OCC13C42	4232.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,4TMS,isomer #9	CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C)C4(O)OCC13C42	4076.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TBDMS,isomer #1	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4718.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TBDMS,isomer #2	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4741.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TBDMS,isomer #3	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4693.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TBDMS,isomer #4	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4686.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TBDMS,isomer #5	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4714.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TBDMS,isomer #6	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4723.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TBDMS,isomer #7	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4689.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,1TBDMS,isomer #8	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4572.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #1	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4832.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #10	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4858.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #11	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4868.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #12	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4829.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #13	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4714.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #14	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4792.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #15	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4813.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #16	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4819.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #17	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4784.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #18	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4675.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #19	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4802.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #2	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4821.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #20	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4827.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #21	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4787.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #22	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4657.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #23	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4824.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #24	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4812.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #25	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4692.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #26	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4828.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #27	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4701.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #28	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4672.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #3	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4843.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #4	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4850.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #5	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4811.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #6	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4868.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #7	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4702.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #8	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4849.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,2TBDMS,isomer #9	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4832.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #1	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4904.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #10	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4933.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #11	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4782.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #12	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4944.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #13	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4930.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #14	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4965.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #15	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4812.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #16	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4943.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #17	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4957.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #18	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4811.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #19	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4933.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #2	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4930.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #20	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4789.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #21	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4828.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #22	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4913.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #23	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4938.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #24	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4926.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #25	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4909.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #26	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4780.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #27	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4939.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #28	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4959.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #29	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4925.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #3	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4919.4	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #30	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4792.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #31	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4957.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #32	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4940.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #33	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4823.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #34	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4954.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #35	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4821.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #36	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4806.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #37	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4895.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #38	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4911.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #39	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4881.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #4	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4898.7	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #40	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4730.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #41	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4906.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #42	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4896.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #43	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4769.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #44	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4907.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #45	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4766.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #46	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4749.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #47	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[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)C3O)C3C(C)C(O)C4(O)OCC13C42	4948.1	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #48	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4924.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #49	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42	4781.0	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #5	CC1=CC(=O)C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O[Si](C)(C)C(C)(C)C)OCC13C42	4949.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #50	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4938.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #51	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4799.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #52	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4770.5	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #53	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4930.6	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #54	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O)C4(O)OCC13C42	4799.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #55	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4789.9	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #56	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O)C4(O)OCC13C42	4803.8	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #6	CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4777.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #7	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4931.3	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #8	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4949.2	Semi standard non polar	33892256
Glaucarubolone 15-O-beta-D-glucopyranoside,3TBDMS,isomer #9	CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3C(C)C(O[Si](C)(C)C(C)(C)C)C4(O)OCC13C42	4916.4	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 - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-002r-5501490000-228df4ca828c4939be69	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (1 TMS) - 70eV, Positive	splash10-03di-7900087000-9eab72efc1a6b5038a57	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS ("Glaucarubolone 15-O-beta-D-glucopyranoside,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	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 - Glaucarubolone 15-O-beta-D-glucopyranoside 10V, Positive-QTOF	splash10-054t-0009070000-90a07262e2596cd31580	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 20V, Positive-QTOF	splash10-00mk-0009000000-e3992ed6776315c0d6b9	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 40V, Positive-QTOF	splash10-00n1-0119000000-8e4d99a8d814c90cd91a	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 10V, Negative-QTOF	splash10-08fu-0103090000-522c5d192dafeba171cc	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 20V, Negative-QTOF	splash10-01r6-1209020000-d963f3e6c8fed31247f8	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 40V, Negative-QTOF	splash10-01p6-2209000000-4f134892341db8128807	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 10V, Positive-QTOF	splash10-0a4i-0003090000-9f85fa1a0cdff0d0ff57	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 20V, Positive-QTOF	splash10-0a6s-0205290000-7940d99199c91dd9a973	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 40V, Positive-QTOF	splash10-053v-7107910000-00d9b8c0e09332f3f1b9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 10V, Negative-QTOF	splash10-0a4i-0000090000-756120d952a2e47fecf0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 20V, Negative-QTOF	splash10-0a4l-2204390000-e0b5272725c6890d3b9c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glaucarubolone 15-O-beta-D-glucopyranoside 40V, Negative-QTOF	splash10-002f-3109000000-ca9ee970b08e2ae59c3f	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

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

FDB013643

KNApSAcK ID

Not Available

Chemspider ID

384953

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

435281

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Glaucarubolone 15-O-beta-D-glucopyranoside (HMDB0035036)

MOL for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

3D MOL for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

3D SDF for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

3D-SDF for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

PDB for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

3D PDB for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

SMILES for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

INCHI for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

Structure for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

3D Structure for HMDB0035036 (Glaucarubolone 15-O-beta-D-glucopyranoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra