Glycoside
...
GD027739

Name:
None

Formula:
C12H11O4N3ClBr

Smiles:
OC[C@@H]1OC(n2cc(Br)c3c(Cl)ncnc32)[C@H](O)[C@H]1O

Aglycone:
Clc1ncnc2c1C(Br)=C[N]2

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.45
AlogP: 0.46 Num_rotatable_bonds: 2
MolWt: 364.58 Num_heavy_atoms: 20
TPSA: 100.63 NumAromaticRings: 2

Unique Aglycone
AD06379
Formula: C7H2N3ClBr

Smiles:
Clc1ncnc2c1C(Br)=C[N]2
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 2.07 Num_rotatable_bonds: 0
MolWt: 231.46 Num_heavy_atoms: 11
TPSA: 39.88 NumAromaticRings: 1

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O