Glycoside
GD001500
Name:
NoneFormula:
C23H21O8N6FSSmiles:
Nc1nc(-c2ccc(F)cc2)cc2c1nnn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.Nc1nc(-c2ccc(F)cc2)cc2c1N=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.52 | Num_heavy_atoms: | 39 |
| TPSA: | 212.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD00564
Formula: C8H9O5NS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.23 | Num_heavy_atoms: | 15 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
AD01499
Formula: C11H7N5F
Smiles:
Nc1nc(-c2ccc(F)cc2)cc2c1N=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.21 | Num_heavy_atoms: | 17 |
| TPSA: | 77.73 | NumAromaticRings: | 2 |
