Glycoside
GD147142
Name:
1-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C25H40O8Smiles:
CC12CCC3C(CCC4CC(OC(=O)C5OC(O)C(O)C(O)C5O)CCC43C)C1CCC2OAglycone:
CC12CCC3C(CCC4CC(OC=O)CCC43C)C1CCC2OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 468.59 | Num_heavy_atoms: | 33 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58934
Formula: C20H32O3
Smiles:
CC12CCC3C(CCC4CC(OC=O)CCC43C)C1CCC2O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
