Glycoside
...
GD086078

Name:
None

Formula:
C19H22O9N2

Smiles:
CC(=O)O[C@@H]1[C@@H](N2CCc3cc([N+](=O)[O-])ccc32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
O=[N+]([O-])c1ccc2c(c1)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: 1.11 Num_rotatable_bonds: 5
MolWt: 422.39 Num_heavy_atoms: 30
TPSA: 134.51 NumAromaticRings: 1

Unique Aglycone
AD04535
Formula: C8H8O2N2

Smiles:
O=[N+]([O-])c1ccc2c(c1)CCN2
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 1.56 Num_rotatable_bonds: 1
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 55.17 NumAromaticRings: 1

Sugarmoiety
SD00194

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