Glycoside
GD009284
Name:
NoneFormula:
C33H38O15Smiles:
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](OC(C)=O)[C@@H]1OC(=O)C=Cc1ccccc1Aglycone:
CC(=O)OC1CC(O)(C(=O)OCc2ccccc2O)CC(OC(C)=O)C1OC(=O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 674.65 | Num_heavy_atoms: | 48 |
| TPSA: | 224.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD07293
Formula: C27H28O10
Smiles:
CC(=O)OC1CC(O)(C(=O)OCc2ccccc2O)CC(OC(C)=O)C1OC(=O)C=Cc1ccccc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 512.51 | Num_heavy_atoms: | 37 |
| TPSA: | 145.66 | NumAromaticRings: | 2 |
