Glycoside
GD040152
Name:
SinigrinFormula:
C10H17O9NS2Smiles:
C=CCC(=NOS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OAglycone:
C=CCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.38 | Num_heavy_atoms: | 22 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD24681
Formula: C4H7O4NS2
Smiles:
C=CCC(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 197.24 | Num_heavy_atoms: | 11 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
