Glycoside
GD116076
Name:
Pongamoside BFormula:
C24H22O10Smiles:
COc1cc2c(=O)cc(-c3cccc(OC4OC(CO)C(O)C(O)C4O)c3)oc2c2ccoc12Aglycone:
COc1cc2c(=O)cc(-c3cccc(O)c3)oc2c2ccoc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.43 | Num_heavy_atoms: | 34 |
| TPSA: | 151.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD46037
Formula: C18H12O5
Smiles:
COc1cc2c(=O)cc(-c3cccc(O)c3)oc2c2ccoc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.29 | Num_heavy_atoms: | 23 |
| TPSA: | 72.81 | NumAromaticRings: | 4 |
