Glycoside
GD122246
Name:
2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)-5,7-dimethoxy-4H-chromen-4-oneFormula:
C22H22O9Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(OC4OCC(O)(CO)C4O)cc3)oc2c1Aglycone:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 127.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD49242
Formula: C17H14O5
Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
