Glycoside
...
GD108541

Name:
None

Formula:
C19H21O9N2Br

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](N2CCc3cc(Br)c([N+](=O)[O-])cc32)[C@@H]1OC(C)=O

Aglycone:
O=[N+]([O-])c1cc2c(cc1Br)CCN2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.53
AlogP: 1.87 Num_rotatable_bonds: 5
MolWt: 501.29 Num_heavy_atoms: 31
TPSA: 134.51 NumAromaticRings: 1

Unique Aglycone
AD15675
Formula: C8H7O2N2Br

Smiles:
O=[N+]([O-])c1cc2c(cc1Br)CCN2
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 2.33 Num_rotatable_bonds: 1
MolWt: 243.06 Num_heavy_atoms: 13
TPSA: 55.17 NumAromaticRings: 1

Sugarmoiety
SD00194

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