Glycoside
GD119860
Name:
Radiatoside BFormula:
C31H44O19Smiles:
O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)C1COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12Aglycone:
O=C(OC1C2C=COC(O)C2C2(CO)OC12)C1COC(O)C2C(CO)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | -5.7 | Num_rotatable_bonds: | 10 |
| MolWt: | 720.67 | Num_heavy_atoms: | 50 |
| TPSA: | 296.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48092
Formula: C19H24O9
Smiles:
O=C(OC1C2C=COC(O)C2C2(CO)OC12)C1COC(O)C2C(CO)=CCC12| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 138.21 | NumAromaticRings: | 0 |
