Glycoside
GD023831
Name:
NoneFormula:
C21H24O9Smiles:
Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cccc(OCC(=O)O)c2)c1Aglycone:
Cc1ccc(O)c(-c2cccc(OCC(=O)O)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD15990
Formula: C15H14O4
Smiles:
Cc1ccc(O)c(-c2cccc(OCC(=O)O)c2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
