Glycoside
GD151581
Name:
4,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}-3-methoxyoxane-2-carboxylic acidFormula:
C23H22O12Smiles:
COc1c(OC2OC(C(=O)O)C(OC)C(O)C2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OSugarmoiety:
COC1C(C(=O)O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD10220
Formula: C16H12O6
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
