Glycoside
GD121163
Name:
7-methoxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C25H32O9Smiles:
COc1cc2c(cc1OC(=O)C1OC(O)C(O)C(O)C1O)C1CCC3(C)C(=O)CCC3C1CC2Aglycone:
COc1cc2c(cc1OC=O)C1CCC3(C)C(=O)CCC3C1CC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.52 | Num_heavy_atoms: | 34 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD48741
Formula: C20H24O4
Smiles:
COc1cc2c(cc1OC=O)C1CCC3(C)C(=O)CCC3C1CC2| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.41 | Num_heavy_atoms: | 24 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
