Glycoside
GD034683
Name:
Gymnoside IFormula:
C21H30O11Smiles:
CC(C)C[C@](O)(CC(=O)O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)CC(O)(CC(=O)O)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 458.46 | Num_heavy_atoms: | 32 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD22017
Formula: C15H20O6
Smiles:
CC(C)CC(O)(CC(=O)O)C(=O)OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
