Glycoside
...
GD022099

Name:
None

Formula:
C19H14O5N5Cl3

Smiles:
CC(=O)OC1C(CN=[N+]=[N-])OC(n2c(Cl)nc3cc(Cl)c(Cl)cc32)C1OC(C)=O

Aglycone:
ClC1=Nc2cc(Cl)c(Cl)cc2[N]1

Sugarmoiety:
CC(=O)OC1C(O)OC(CN=[N+]=[N-])C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.44
AlogP: 4.07 Num_rotatable_bonds: 5
MolWt: 462.68 Num_heavy_atoms: 29
TPSA: 128.41 NumAromaticRings: 2

Unique Aglycone
AD01803
Formula: C10H2N2Cl3

Smiles:
ClC1=Nc2cc(Cl)c(Cl)cc2[N]1
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 3.47 Num_rotatable_bonds: 0
MolWt: 220.47 Num_heavy_atoms: 12
TPSA: 26.46 NumAromaticRings: 1

Sugarmoiety
SD00178

CC(=O)OC1C(O)OC(CN=[N+]=[N-])C1OC(C)=O