Glycoside
...
GD092200

Name:
None

Formula:
C18H19O7N4Cl

Smiles:
Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

Aglycone:
Cc1c(N)nc(-c2ccc([N+](=O)[O-])cc2)nc1Cl

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.41
AlogP: 0.23 Num_rotatable_bonds: 5
MolWt: 426.81 Num_heavy_atoms: 29
TPSA: 171.1 NumAromaticRings: 2

Unique Aglycone
AD40243
Formula: C12H9O2N4Cl

Smiles:
Cc1c(N)nc(-c2ccc([N+](=O)[O-])cc2)nc1Cl
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.6 Num_rotatable_bonds: 2
MolWt: 264.67 Num_heavy_atoms: 18
TPSA: 94.94 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O