Glycoside
GD146385
Name:
methyl 4,5-dihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-methoxyoxane-2-carboxylateFormula:
C24H24O11Smiles:
COC(=O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc3c2)C(O)C(O)C1OCAglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.45 | Num_heavy_atoms: | 35 |
| TPSA: | 154.12 | 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 |
