Glycoside
...
GD000741

Name:
None

Formula:
C21H24O12N2

Smiles:
O=[N+]([O-])c1ccc(OCC(COc2ccc([N+](=O)[O-])cc2)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
O=[N+]([O-])c1ccc(OCC(O)COc2ccc([N+](=O)[O-])cc2)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.43
AlogP: 0.15 Num_rotatable_bonds: 11
MolWt: 496.43 Num_heavy_atoms: 35
TPSA: 204.12 NumAromaticRings: 2

Unique Aglycone
AD00790
Formula: C15H14O7N2

Smiles:
O=[N+]([O-])c1ccc(OCC(O)COc2ccc([N+](=O)[O-])cc2)cc1
HBA: 9 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: 2.32 Num_rotatable_bonds: 8
MolWt: 334.28 Num_heavy_atoms: 24
TPSA: 124.97 NumAromaticRings: 2

Sugarmoiety
SD00003

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