Glycoside
GD099158
Name:
2,3,4,5-tetrahydroxy-5-(5-hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl)-6-oxohexanoic acidFormula:
C22H20O11Smiles:
COc1c([C@@](O)(C=O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O)cc(O)c2c(=O)cc(-c3ccccc3)oc12Aglycone:
COc1ccc(O)c2c(=O)cc(-c3ccccc3)oc12Sugarmoiety:
O=CC(O)(O)C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.39 | Num_heavy_atoms: | 33 |
| TPSA: | 194.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD42201
Formula: C16H12O4
Smiles:
COc1ccc(O)c2c(=O)cc(-c3ccccc3)oc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
