Glycoside
GD116226
Name:
3-Hydroxy-5-(Methylsulfonyl)Pentyl GlucosinolateFormula:
C13H25O12NS3Smiles:
CS(=O)(=O)CCC(O)CCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)(=O)CCC(O)CCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 483.54 | Num_heavy_atoms: | 29 |
| TPSA: | 220.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD46116
Formula: C7H15O7NS3
Smiles:
CS(=O)(=O)CCC(O)CCC(S)=NOS(=O)(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 321.4 | Num_heavy_atoms: | 18 |
| TPSA: | 130.33 | NumAromaticRings: | 0 |
