Glycoside
GD134747
Name:
Withanoside ViFormula:
C40H62O15Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 782.92 | Num_heavy_atoms: | 55 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD54510
Formula: C28H42O5
Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.64 | Num_heavy_atoms: | 33 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
