Glycoside
GD144520
Name:
Withanoside IiiFormula:
C34H52O12Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 652.78 | Num_heavy_atoms: | 46 |
| TPSA: | 198.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD58078
Formula: C28H42O7
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC23C)C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 119.75 | NumAromaticRings: | 0 |
