Glycoside
...
GD036443

Name:
None

Formula:
C14H13O4N4Cl

Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cc(Cl)c3c(N)ncnc32)[C@H]1O

Aglycone:
Nc1ncnc2c1C(Cl)=C[N]2

Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.38
AlogP: -0.72 Num_rotatable_bonds: 2
MolWt: 324.72 Num_heavy_atoms: 22
TPSA: 126.65 NumAromaticRings: 2

Unique Aglycone
AD13024
Formula: C7H4N4Cl

Smiles:
Nc1ncnc2c1C(Cl)=C[N]2
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.85 Num_rotatable_bonds: 0
MolWt: 167.58 Num_heavy_atoms: 11
TPSA: 65.9 NumAromaticRings: 1

Sugarmoiety
SD00341

C#CC1(O)C(CO)OC(O)C1O