Glycoside
GD121682
Name:
Saponarioside JFormula:
C53H82O24Smiles:
CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C(=O)O)C2CCC13CAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C(=O)O)C2CCC13CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.89 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 1103.21 | Num_heavy_atoms: | 77 |
| TPSA: | 391.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD48992
Formula: C30H44O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C(=O)O)C2CCC13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
