Glycoside
GD119857
Name:
3-Hydroxy-5-(Methylthio)Pentyl GlucosinolateFormula:
C13H25O10NS3Smiles:
CSCCC(O)CCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CSCCC(O)CCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 451.54 | Num_heavy_atoms: | 27 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD48088
Formula: C7H15O5NS3
Smiles:
CSCCC(O)CCC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 289.4 | Num_heavy_atoms: | 16 |
| TPSA: | 96.19 | NumAromaticRings: | 0 |
