Glycoside
GD137882
Name:
Sapinmusaponin RFormula:
C49H80O17Smiles:
COC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
COC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 941.16 | Num_heavy_atoms: | 66 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD04893
Formula: C31H50O3
Smiles:
COC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 7.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
