Glycoside
GD022468
Name:
VANDATEROSIDE IIFormula:
C37H44O18Smiles:
O=C(C[C@](O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(CC(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 15 |
| MolWt: | 776.74 | Num_heavy_atoms: | 55 |
| TPSA: | 291.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD10569
Formula: C25H24O8
Smiles:
O=C(CC(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1)OCc1ccc(O)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 452.46 | Num_heavy_atoms: | 33 |
| TPSA: | 133.52 | NumAromaticRings: | 3 |
