Glycoside
GD138714
Name:
11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C24H30O8Smiles:
CC12CCC3c4ccc(OC(=O)C5OC(O)C(O)C(O)C5O)cc4CCC3C1CCC2=OAglycone:
CC12CCC3c4ccc(OC=O)cc4CCC3C1CCC2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD55962
Formula: C19H22O3
Smiles:
CC12CCC3c4ccc(OC=O)cc4CCC3C1CCC2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.38 | Num_heavy_atoms: | 22 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
