Glycoside
GD124035
Name:
2,3,4,5-tetrahydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}hexanalFormula:
C21H20O9Smiles:
O=CC(O)C(O)C(O)C(O)COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1Aglycone:
O=c1c(-c2ccc(O)cc2)coc2ccccc12Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 157.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD46981
Formula: C15H10O3
Smiles:
O=c1c(-c2ccc(O)cc2)coc2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.24 | Num_heavy_atoms: | 18 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
