Glycoside
GD115391
Name:
8-Methylsulfinyl-3-Oxooctyl GlucosinolateFormula:
C16H29O11NS3Smiles:
CS(=O)CCCCCC(=O)CCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)CCCCCC(=O)CCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 507.61 | Num_heavy_atoms: | 31 |
| TPSA: | 200.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD45638
Formula: C10H19O6NS3
Smiles:
CS(=O)CCCCCC(=O)CCC(S)=NOS(=O)(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 345.46 | Num_heavy_atoms: | 20 |
| TPSA: | 110.1 | NumAromaticRings: | 0 |
