Glycoside
GD123179
Name:
2-[(5-{[3a,5a,5b,8,8,11a-hexamethyl-1-(propan-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}-3,4-dihydroxyoxolan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H70O10Smiles:
CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C12Aglycone:
CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 723.0 | Num_heavy_atoms: | 51 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD49694
Formula: C30H52O
Smiles:
CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 8.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 428.75 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
