Glycoside
GD134510
Name:
Ajureptaside BFormula:
C17H28O11Smiles:
CC(=O)OC1(C)CC(O)C2(O)CCOC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=O)OC1(C)CC(O)C2(O)CCOC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.4 | Num_heavy_atoms: | 28 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD54411
Formula: C11H18O6
Smiles:
CC(=O)OC1(C)CC(O)C2(O)CCOC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.26 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
