Glycoside
...
GD018152

Name:
None

Formula:
C19H19O9N2Br

Smiles:
CC(=O)OC1COC(n2ccc3cc(Br)c([N+](=O)[O-])cc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
O=[N+]([O-])c1cc2[nH]ccc2cc1Br

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: 2.64 Num_rotatable_bonds: 5
MolWt: 499.27 Num_heavy_atoms: 31
TPSA: 136.2 NumAromaticRings: 2

Unique Aglycone
AD12857
Formula: C8H5O2N2Br

Smiles:
O=[N+]([O-])c1cc2[nH]ccc2cc1Br
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.84 Num_rotatable_bonds: 1
MolWt: 241.04 Num_heavy_atoms: 13
TPSA: 58.93 NumAromaticRings: 2

Sugarmoiety
SD00194

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