Glycoside
GD151008
Name:
methyl 1,11,12-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C36H58O10Smiles:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)C(O)C(O)C(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2Aglycone:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)C(O)C(O)C(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD60266
Formula: C31H50O6
Smiles:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)C(O)C(O)C(O)C(C)(C)C4CCC3(C)C1(C)CC2| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 518.74 | Num_heavy_atoms: | 37 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
