Glycoside
GD140646
Name:
Withanoside XiFormula:
C34H52O11Smiles:
CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 636.78 | Num_heavy_atoms: | 45 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD56705
Formula: C28H42O6
Smiles:
CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
