Glycoside
...
GD109922

Name:
None

Formula:
C25H22O12N5Br

Smiles:
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1N1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2cc(Br)c([N+](=O)[O-])cc21

Aglycone:
O=C1Nc2cc([N+](=O)[O-])c(Br)cc2C1=NNc1ccc([N+](=O)[O-])cc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 1 FractionCSP3: 0.32
AlogP: 2.58 Num_rotatable_bonds: 8
MolWt: 664.38 Num_heavy_atoms: 43
TPSA: 219.11 NumAromaticRings: 2

Unique Aglycone
AD11748
Formula: C14H8O5N5Br

Smiles:
O=C1Nc2cc([N+](=O)[O-])c(Br)cc2C1=NNc1ccc([N+](=O)[O-])cc1
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 3.03 Num_rotatable_bonds: 4
MolWt: 406.15 Num_heavy_atoms: 25
TPSA: 139.77 NumAromaticRings: 2

Sugarmoiety
SD00194

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