Glycoside
GD126206
Name:
1-(1-hydroxyethyl)-9a,11a-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C27H42O8Smiles:
CC(O)C1CC(OC2OC(CO)C(O)C(O)C2O)C2C3CCC4=CC(=O)CCC4(C)C3CCC12CAglycone:
CC(O)C1CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 494.63 | Num_heavy_atoms: | 35 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD22764
Formula: C21H32O3
Smiles:
CC(O)C1CC(O)C2C3CCC4=CC(=O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.48 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
