Glycoside
GD119310
Name:
8-Methylthio-Octyl GlucosinolateFormula:
C16H31O9NS3Smiles:
CSCCCCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CSCCCCCCCCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 477.62 | Num_heavy_atoms: | 29 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD47776
Formula: C10H21O4NS3
Smiles:
CSCCCCCCCCC(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 315.48 | Num_heavy_atoms: | 18 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
