Glycoside
GD118090
Name:
9a,11a-dimethyl-1-(6-methyl-3-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetateFormula:
C35H54O10Smiles:
CC(=O)OC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1C(C)C(=O)CCC(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1C(C)C(=O)CCC(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD47176
Formula: C29H44O5
Smiles:
CC(=O)OC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1C(C)C(=O)CCC(C)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
