Glycoside
GD124985
Name:
Soyasaponine IFormula:
C48H78O18Smiles:
CC1CC2(C)C(O)CC(C)(C)CC2C2=CCC3C(C)(CCC4C(C)(CO)C(OC5OC(C(=O)O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC43C)C21Aglycone:
CC1CC2(C)C(O)CC(C)(C)CC2C2=CCC3C(C)(CCC4C(C)(CO)C(O)CCC43C)C21Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 943.13 | Num_heavy_atoms: | 66 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50537
Formula: C30H50O3
Smiles:
CC1CC2(C)C(O)CC(C)(C)CC2C2=CCC3C(C)(CCC4C(C)(CO)C(O)CCC43C)C21| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
