Glycoside
...
GD098255

Name:
None

Formula:
C15H15O5N6SBr

Smiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccc(Br)s4)nn3)[C@@H](O)[C@@H]2O)c(=O)n1

Aglycone:
Brc1ccc(C2=C[N]N=N2)s1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
OCC1(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.33
AlogP: -0.5 Num_rotatable_bonds: 4
MolWt: 471.29 Num_heavy_atoms: 28
TPSA: 161.54 NumAromaticRings: 3

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD41810
Formula: C6H3N3SBr

Smiles:
Brc1ccc(C2=C[N]N=N2)s1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 2.79 Num_rotatable_bonds: 1
MolWt: 229.08 Num_heavy_atoms: 11
TPSA: 38.82 NumAromaticRings: 1

Sugarmoiety
SD01068

OCC1(O)OC(O)C(O)C1O