Glycoside
GD119957
Name:
2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-hydroxybutanedioic acidFormula:
C19H14O11Smiles:
O=C(O)C(O)C(Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1O)C(=O)OAglycone:
O=c1c(-c2ccc(O)cc2)coc2c(O)ccc(O)c12Sugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.11 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.31 | Num_heavy_atoms: | 30 |
| TPSA: | 194.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD44253
Formula: C15H10O5
Smiles:
O=c1c(-c2ccc(O)cc2)coc2c(O)ccc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
