Glycoside
GD141214
Name:
2-{9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-hydroxy-6-methyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-3-yl acetateFormula:
C34H54O9Smiles:
CC(=O)OC(CCC(C)COC1OCC(O)C(O)C1O)C(C)(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21CAglycone:
CC(=O)OC(CCC(C)CO)C(C)(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 606.8 | Num_heavy_atoms: | 43 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD56567
Formula: C29H46O5
Smiles:
CC(=O)OC(CCC(C)CO)C(C)(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
