Glycoside
...
GD024126

Name:
None

Formula:
C12H14O4N5ClS

Smiles:
C[S+]([O-])C[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@H]1O

Aglycone:
Nc1nc(Cl)nc2c1N=C[N]2

Sugarmoiety:
C[S+](O)CC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 4 FractionCSP3: 0.55
AlogP: -0.94 Num_rotatable_bonds: 3
MolWt: 347.78 Num_heavy_atoms: 22
TPSA: 142.37 NumAromaticRings: 2

Unique Aglycone
AD00532
Formula: C6H3N5Cl

Smiles:
Nc1nc(Cl)nc2c1N=C[N]2
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
SD00686

C[S+](O)CC1OC(O)C(O)C1O