Glycoside
...
GD092786

Name:
None

Formula:
C19H21O9N3

Smiles:
O=[N+]([O-])c1ccc(N[C@@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1

Aglycone:
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].OCc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 4 FractionCSP3: 0.37
AlogP: 0.94 Num_rotatable_bonds: 8
MolWt: 435.39 Num_heavy_atoms: 31
TPSA: 177.46 NumAromaticRings: 2

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD29102
Formula: C6H5O4N3

Smiles:
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
HBA: 7 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 2
MolWt: 183.12 Num_heavy_atoms: 13
TPSA: 112.3 NumAromaticRings: 1

Sugarmoiety
SD00003

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