Glycoside
GD114407
Name:
Withanamide HFormula:
C40H58O13N2Smiles:
CC(O)C=CCC=CCC=CCC=CCCCCC(O)=NCCc1c[nH]c2ccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc12Aglycone:
CC(O)C=CCC=CCC=CCC=CCCCCC(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: | 0.57 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 21 |
| MolWt: | 774.91 | Num_heavy_atoms: | 55 |
| TPSA: | 247.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD45040
Formula: C28H38O3N2
Smiles:
CC(O)C=CCC=CCC=CCC=CCCCCC(O)=NCCc1c[nH]c2ccc(O)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 6.71 | Num_rotatable_bonds: | 15 |
| MolWt: | 450.62 | Num_heavy_atoms: | 33 |
| TPSA: | 88.84 | NumAromaticRings: | 2 |
