Glycoside
...
GD093180

Name:
None

Formula:
C17H18O12N2

Smiles:
CC(=O)O[C@@H]1CO[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 0 FractionCSP3: 0.47
AlogP: 1.03 Num_rotatable_bonds: 7
MolWt: 442.33 Num_heavy_atoms: 31
TPSA: 183.64 NumAromaticRings: 1

Unique Aglycone
AD40390
Formula: C6H4O5N2

Smiles:
O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]
HBA: 7 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 184.11 Num_heavy_atoms: 13
TPSA: 106.51 NumAromaticRings: 1

Sugarmoiety
SD00194

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