Glycoside
GD156524
Name:
2-hydroxy-3-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}butanedioic acidFormula:
C19H14O10Smiles:
O=C(O)C(O)C(Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cccc(O)c12Sugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.31 | Num_heavy_atoms: | 29 |
| TPSA: | 174.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD61966
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cccc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
