Glycoside
GD157566
Name:
Withanamide GFormula:
C38H60O13N2Smiles:
CC(O)CCCCC=CCCCCCCCC(O)=NCCc1c[nH]c2ccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc12Aglycone:
CC(O)CCCCC=CCCCCCCCC(O)=NCCc1c[nH]c2ccc(O)cc12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 22 |
| MolWt: | 752.9 | Num_heavy_atoms: | 53 |
| TPSA: | 247.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD62284
Formula: C26H40O3N2
Smiles:
CC(O)CCCCC=CCCCCCCCC(O)=NCCc1c[nH]c2ccc(O)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 6.6 | Num_rotatable_bonds: | 16 |
| MolWt: | 428.62 | Num_heavy_atoms: | 31 |
| TPSA: | 88.84 | NumAromaticRings: | 2 |
