Glycoside
...
GD006017

Name:
None

Formula:
C21H22O4N9F3S

Smiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NCCc3cccc(C(F)(F)F)c3)nc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1cccc(C(F)(F)F)c1)[N]2

Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.43
AlogP: 1.81 Num_rotatable_bonds: 9
MolWt: 553.53 Num_heavy_atoms: 38
TPSA: 197.17 NumAromaticRings: 3

Unique Aglycone
AD05018
Formula: C16H14ON6F3S

Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1cccc(C(F)(F)F)c1)[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
SD00382

[N-]=[N+]=NCC1OC(O)C(O)C1O