Glycoside
...
GD034751

Name:
None

Formula:
C15H15O5N5ClI

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CI)O[C@@H]1n1cnc2c(N)nc(Cl)nc21

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

Sugarmoiety:
CC(=O)OC1C(O)OC(CI)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: 1.26 Num_rotatable_bonds: 4
MolWt: 495.66 Num_heavy_atoms: 26
TPSA: 131.45 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
SD01337

CC(=O)OC1C(O)OC(CI)C1OC(C)=O