Glycoside
GD035038
Name:
NoneFormula:
C31H36O14Smiles:
CC(=O)O[C@@H]1C[C@](O)(C(=O)OCc2ccccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H](O)[C@H]1OC(=O)C=Cc1ccccc1Aglycone:
CC(=O)OC1CC(O)(C(=O)OCc2ccccc2O)CC(O)C1OC(=O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 632.62 | Num_heavy_atoms: | 45 |
| TPSA: | 218.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD22198
Formula: C25H26O9
Smiles:
CC(=O)OC1CC(O)(C(=O)OCc2ccccc2O)CC(O)C1OC(=O)C=Cc1ccccc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.47 | Num_heavy_atoms: | 34 |
| TPSA: | 139.59 | NumAromaticRings: | 2 |
