Glycoside
GD128977
Name:
Asparagoside FFormula:
C50H82O22Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 1035.18 | Num_heavy_atoms: | 72 |
| TPSA: | 335.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD01572
Formula: C27H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
