Glycoside
GD146868
Name:
Saponarioside IFormula:
C59H94O30Smiles:
CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 10 |
| HBD: | 18 | FractionCSP3: | 0.93 |
| AlogP: | -5.54 | Num_rotatable_bonds: | 15 |
| MolWt: | 1283.37 | Num_heavy_atoms: | 89 |
| TPSA: | 490.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD01853
Formula: C30H46O6
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
Sugarmoiety
SD09386
OC1COC(O)C(O)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O