Glycoside
GD020242
Name:
NoneFormula:
C17H13O7N9F4SSmiles:
[N-]=[N+]=Nc1c(F)c(F)c(C(=O)NS(=O)(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c(F)c1FAglycone:
COS(=O)(=O)NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 563.41 | Num_heavy_atoms: | 38 |
| TPSA: | 240.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD14008
Formula: C8H4O4N4F4S
Smiles:
COS(=O)(=O)NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.2 | Num_heavy_atoms: | 21 |
| TPSA: | 121.23 | NumAromaticRings: | 1 |
