Glycoside
GD123168
Name:
Withanamide IFormula:
C46H72O18N2Smiles:
CC(O)CCCCCCC=CCC=CCCCCC(O)=NCCc1c[nH]c2ccc(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)cc12Aglycone:
CC(O)CCCCCCC=CCC=CCCCCC(O)=NCCc1c[nH]c2ccc(O)cc12Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.72 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 26 |
| MolWt: | 941.08 | Num_heavy_atoms: | 66 |
| TPSA: | 326.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD49688
Formula: C28H42O3N2
Smiles:
CC(O)CCCCCCC=CCC=CCCCCC(O)=NCCc1c[nH]c2ccc(O)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 7.16 | Num_rotatable_bonds: | 17 |
| MolWt: | 454.66 | Num_heavy_atoms: | 33 |
| TPSA: | 88.84 | NumAromaticRings: | 2 |
