Glycoside
GD119608
Name:
Withanoside ViiiFormula:
C46H72O20Smiles:
CC1=C(COCC2OC(O)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1Aglycone:
COCC1=C(C)CC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)OC1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 945.06 | Num_heavy_atoms: | 66 |
| TPSA: | 324.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD47956
Formula: C29H44O5
Smiles:
COCC1=C(C)CC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)OC1=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
