Glycoside
...
GD025860

Name:
None

Formula:
C19H20O4N9SBr

Smiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NCc3cccc(Br)c3)nc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:
Nc1ncnc2c1N=C(SCC(=O)NCc1cccc(Br)c1)[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.37
AlogP: 1.51 Num_rotatable_bonds: 8
MolWt: 550.4 Num_heavy_atoms: 34
TPSA: 197.17 NumAromaticRings: 3

Unique Aglycone
AD17103
Formula: C14H12ON6SBr

Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCc1cccc(Br)c1)[N]2
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.14
AlogP: 2.11 Num_rotatable_bonds: 4
MolWt: 392.26 Num_heavy_atoms: 23
TPSA: 107.36 NumAromaticRings: 2

Sugarmoiety
SD00382

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