Glycoside
GD121466
Name:
3a-hydroxy-9a,11a-dimethyl-1-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C27H40O9Smiles:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)COC3OC(CO)C(O)C(O)C3O)CCC12OAglycone:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.61 | Num_heavy_atoms: | 36 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD48898
Formula: C21H30O4
Smiles:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.47 | Num_heavy_atoms: | 25 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
