Glycoside
GD149469
Name:
Funingenoside BFormula:
C44H68O19Smiles:
COC1CC(OC2CCC3(C)C(CCC45CCC(C6COC(=O)C6)C(C)(CCC43)C5=O)C2OC(C)=O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=O)OC1C(O)CCC2(C)C1CCC13CCC(C4COC(=O)C4)C(C)(CCC12)C3=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 901.01 | Num_heavy_atoms: | 63 |
| TPSA: | 275.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD53964
Formula: C25H36O6
Smiles:
CC(=O)OC1C(O)CCC2(C)C1CCC13CCC(C4COC(=O)C4)C(C)(CCC12)C3=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
