Glycoside
GD154151
Name:
Sanchakasaponin BFormula:
C59H96O26Smiles:
CCC(C)C(=O)OC1C(O)C2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C21COAglycone:
CCC(C)C(=O)OC1C(O)C2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C21COSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.93 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 15 |
| MolWt: | 1221.39 | Num_heavy_atoms: | 85 |
| TPSA: | 420.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD61263
Formula: C35H58O6
Smiles:
CCC(C)C(=O)OC1C(O)C2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C21CO| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 574.84 | Num_heavy_atoms: | 41 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
Sugarmoiety
SD01794
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O