Glycoside
GD119232
Name:
10-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a,6a-dicarboxylic acidFormula:
C41H64O13Smiles:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1CAglycone:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 764.95 | Num_heavy_atoms: | 54 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00107
Formula: C30H46O5
Smiles:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
