Glycoside
GD117581
Name:
Withanoside IiFormula:
C40H62O16Smiles:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 798.92 | Num_heavy_atoms: | 56 |
| TPSA: | 257.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD46898
Formula: C28H42O6
Smiles:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC23C)C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
