Glycoside
...
GD006154

Name:
None

Formula:
C21H23O5N6F3S

Smiles:
Nc1ncnc2c1nc(SCC(=O)NCCc1ccc(C(F)(F)F)cc1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(C(F)(F)F)cc1)[N]2

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 6 FractionCSP3: 0.43
AlogP: 0.49 Num_rotatable_bonds: 8
MolWt: 528.51 Num_heavy_atoms: 36
TPSA: 168.64 NumAromaticRings: 3

Unique Aglycone
AD05118
Formula: C16H14ON6F3S

Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(C(F)(F)F)cc1)[N]2
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.25
AlogP: 2.41 Num_rotatable_bonds: 5
MolWt: 395.39 Num_heavy_atoms: 27
TPSA: 107.36 NumAromaticRings: 2

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O