Glycoside
...
GD025191

Name:
None

Formula:
C13H12O4N5Cl

Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cnc3c(Cl)nc(N)nc32)[C@H]1O

Aglycone:
Nc1nc(Cl)c2c(n1)[N]C=N2

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.42
AlogP: -1.32 Num_rotatable_bonds: 2
MolWt: 325.71 Num_heavy_atoms: 22
TPSA: 139.54 NumAromaticRings: 2

Unique Aglycone
AD01464
Formula: C6H3N5Cl

Smiles:
Nc1nc(Cl)c2c(n1)[N]C=N2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 0
MolWt: 168.57 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1

Sugarmoiety
SD00341

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