Glycoside
GD004501
Name:
NoneFormula:
C23H26O9Smiles:
O=C(O)CCC(=O)c1ccc(-c2cccc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)cc1Aglycone:
O=C(O)CCC(=O)c1ccc(-c2cccc(CO)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 446.45 | Num_heavy_atoms: | 32 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD03922
Formula: C17H16O4
Smiles:
O=C(O)CCC(=O)c1ccc(-c2cccc(CO)c2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 284.31 | Num_heavy_atoms: | 21 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
