Glycoside
GD016661
Name:
NoneFormula:
C28H32O16Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3O)c(=O)c12Aglycone:
COc1cc(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD11965
Formula: C16H12O6
Smiles:
COc1cc(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
