Glycoside
GD028709
Name:
NoneFormula:
C23H17O6N7F6Cl2SSmiles:
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1[S+]([O-])C(F)(F)FAglycone:
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCC2=C[N]N=N2)c1[S+]([O-])C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 680.37 | Num_heavy_atoms: | 43 |
| TPSA: | 197.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD18727
Formula: C17H6ON7F6Cl2S
Smiles:
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCC2=C[N]N=N2)c1[S+]([O-])C(F)(F)F| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 517.22 | Num_heavy_atoms: | 32 |
| TPSA: | 115.52 | NumAromaticRings: | 2 |
