Glycoside
GD100676
Name:
NoneFormula:
C21H21O7N4FSSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1Aglycone:
NC(=O)C1=C(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.49 | Num_heavy_atoms: | 34 |
| TPSA: | 177.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD42504
Formula: C16H12O3N4FS
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)[N]C=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 359.36 | Num_heavy_atoms: | 25 |
| TPSA: | 115.72 | NumAromaticRings: | 2 |
