Glycoside
GD152880
Name:
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acidFormula:
C23H22O13Smiles:
COc1c(OC2OC(C(=O)O)C(OC)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OSugarmoiety:
COC1C(C(=O)O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.42 | Num_heavy_atoms: | 36 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD09185
Formula: C16H12O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
