Glycoside
...
GD002456

Name:
None

Formula:
C19H17O11N2Br

Smiles:
CC(=O)OC1COC(N2C(=O)C(=O)c3cc(Br)c([N+](=O)[O-])cc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
O=C1Nc2cc([N+](=O)[O-])c(Br)cc2C1=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 1.04 Num_rotatable_bonds: 5
MolWt: 529.25 Num_heavy_atoms: 33
TPSA: 168.65 NumAromaticRings: 1

Unique Aglycone
AD02345
Formula: C8H3O4N2Br

Smiles:
O=C1Nc2cc([N+](=O)[O-])c(Br)cc2C1=O
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 1
MolWt: 271.03 Num_heavy_atoms: 15
TPSA: 89.31 NumAromaticRings: 1

Sugarmoiety
SD00194

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