Glycoside
GD142463
Name:
2,3,4,5-tetrahydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl]oxy}hexanalFormula:
C22H22O11Smiles:
COc1c(-c2ccc(O)cc2)oc2cc(OCC(O)C(O)C(O)C(O)C=O)cc(O)c2c1=OAglycone:
COc1c(-c2ccc(O)cc2)oc2cccc(O)c2c1=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 187.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD57326
Formula: C16H12O5
Smiles:
COc1c(-c2ccc(O)cc2)oc2cccc(O)c2c1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
