Glycoside
GD122974
Name:
Asparoside AFormula:
C52H88O23Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 16 |
| MolWt: | 1081.25 | Num_heavy_atoms: | 75 |
| TPSA: | 355.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD13526
Formula: C28H48O4
Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.69 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
