Glycoside
GD152584
Name:
Sapinmusaponin OFormula:
C42H72O12Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CC(O)C12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 769.03 | Num_heavy_atoms: | 54 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD54257
Formula: C30H52O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
