Glycoside
GD120047
Name:
2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-oneFormula:
C22H22O10Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(OC4OCC(O)(CO)C4O)c(O)c3)oc2c1Aglycone:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 148.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD48180
Formula: C17H14O6
Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
