Glycoside
GD150538
Name:
Volubiloside CFormula:
C48H78O20Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(O)C(O)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 13 |
| MolWt: | 975.13 | Num_heavy_atoms: | 68 |
| TPSA: | 280.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD46982
Formula: C21H32O5
Smiles:
CC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
