Glycoside
GD005071
Name:
NoneFormula:
C13H18O7N3FS2Smiles:
NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2C(O)O[C@H](CO)[C@H](O)[C@H]2O)c(F)c1Aglycone:
NC(=S)Nc1ccc(S(N)(=O)=O)cc1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.43 | Num_heavy_atoms: | 26 |
| TPSA: | 174.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD04343
Formula: C7H8O2N3FS2
Smiles:
NC(=S)Nc1ccc(S(N)(=O)=O)cc1F| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 249.29 | Num_heavy_atoms: | 15 |
| TPSA: | 98.21 | NumAromaticRings: | 1 |
