Glycoside
GD012501
Name:
NoneFormula:
C22H22O9Smiles:
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OCc3ccccc3)cc2o1Aglycone:
O=c1ccc2cc(O)c(OCc3ccccc3)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 138.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD09415
Formula: C16H12O4
Smiles:
O=c1ccc2cc(O)c(OCc3ccccc3)cc2o1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
