Glycoside
GD120130
Name:
Pongamoside AFormula:
C23H20O9Smiles:
O=c1cc(-c2cccc(OC3OC(CO)C(O)C(O)C3O)c2)oc2c1ccc1occc12Aglycone:
O=c1cc(-c2cccc(O)c2)oc2c1ccc1occc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.4 | Num_heavy_atoms: | 32 |
| TPSA: | 142.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD48225
Formula: C17H10O4
Smiles:
O=c1cc(-c2cccc(O)c2)oc2c1ccc1occc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.26 | Num_heavy_atoms: | 21 |
| TPSA: | 63.58 | NumAromaticRings: | 4 |
