Glycoside
GD097029
Name:
NoneFormula:
C16H16O7N4FClSSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1cc(Cl)ccc1FAglycone:
NC(=O)C1=C(NS(=O)(=O)c2cc(Cl)ccc2F)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.83 | Num_heavy_atoms: | 29 |
| TPSA: | 177.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD41241
Formula: C11H7O3N4FClS
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2cc(Cl)ccc2F)[N]C=N1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.71 | Num_heavy_atoms: | 20 |
| TPSA: | 115.72 | NumAromaticRings: | 1 |
