Glycoside
GD121541
Name:
6-[(8-{9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-5-methyl-3-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)methoxy]-3,4,5-tris(acetyloxy)oxan-2-yl acetateFormula:
C41H54O14Smiles:
CC(=O)OC1OC(OCC2C(=O)OC3CC2(C)OCC3C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC23C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC12CC(OC(=O)C1CO)C(C1CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC13C)CO2Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.76 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 770.87 | Num_heavy_atoms: | 55 |
| TPSA: | 176.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD48929
Formula: C28H38O5
Smiles:
CC12CC(OC(=O)C1CO)C(C1CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC13C)CO2| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 454.61 | Num_heavy_atoms: | 33 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
