Glycoside
...
GD086086

Name:
None

Formula:
C19H20O9N2

Smiles:
CC(=O)O[C@H]1CO[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
O=[N+]([O-])c1ccc2[nH]ccc2c1

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 1.87 Num_rotatable_bonds: 5
MolWt: 420.37 Num_heavy_atoms: 30
TPSA: 136.2 NumAromaticRings: 2

Unique Aglycone
AD11034
Formula: C8H6O2N2

Smiles:
O=[N+]([O-])c1ccc2[nH]ccc2c1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.08 Num_rotatable_bonds: 1
MolWt: 162.15 Num_heavy_atoms: 12
TPSA: 58.93 NumAromaticRings: 2

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O