Glycoside
GD125683
Name:
6-Methylthio-3-Oxohexyl GlucosinolateFormula:
C14H25O10NS3Smiles:
CSCCCC(=O)CCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CSCCCC(=O)CCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 463.55 | Num_heavy_atoms: | 28 |
| TPSA: | 183.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD50838
Formula: C8H15O5NS3
Smiles:
CSCCCC(=O)CCC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 301.41 | Num_heavy_atoms: | 17 |
| TPSA: | 93.03 | NumAromaticRings: | 0 |
