Glycoside
GD099404
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C22H20O12Smiles:
COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.39 | Num_heavy_atoms: | 34 |
| TPSA: | 196.35 | 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 |
