Glycoside
GD118674
Name:
4,5-dihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-methoxyoxane-2-carboxylic acidFormula:
C23H22O11Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(OC)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
COC1C(C(=O)O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 165.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
