Glycoside
GD125551
Name:
3-Hydroxy-6-(Methylthio)Hexyl GlucosinolateFormula:
C14H27O10NS3Smiles:
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: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 465.57 | Num_heavy_atoms: | 28 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD50781
Formula: C8H17O5NS3
Smiles:
CSCCCC(O)CCC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 303.43 | Num_heavy_atoms: | 17 |
| TPSA: | 96.19 | NumAromaticRings: | 0 |
