Glycoside
GD149862
Name:
wallichiiside dFormula:
C32H48O19Smiles:
CC(=O)OC1(C)CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3OC3CC4C(O)C5OC5(C)C4C(OC4OC(CO)C(O)C(O)C4O)O3)C21Aglycone:
CC(=O)OC1(C)CC(O)C2C=COC(O)C21.CC12OC1C(O)C1CC(O)OC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -4.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 736.72 | Num_heavy_atoms: | 51 |
| TPSA: | 285.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD16541
Formula: C11H16O5
Smiles:
CC(=O)OC1(C)CC(O)C2C=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD59900
Formula: C9H14O5
Smiles:
CC12OC1C(O)C1CC(O)OC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.21 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
