Glycoside
GD125550
Name:
4-acetyl-8a-(hydroxymethyl)-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-octahydro-2H-cyclohepta[b]furan-2-oneFormula:
C21H34O10Smiles:
CC(=O)C1CC(C(C)(C)OC2OC(CO)C(O)C(O)C2O)CCC2(CO)OC(=O)CC12Aglycone:
CC(=O)C1CC(C(C)(C)O)CCC2(CO)OC(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.49 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50780
Formula: C15H24O5
Smiles:
CC(=O)C1CC(C(C)(C)O)CCC2(CO)OC(=O)CC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.35 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
