Glycoside
...
GD010168

Name:
None

Formula:
C16H19O10N5

Smiles:
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3nnn[nH]3)[C@H]2O)c([N+](=O)[O-])c1

Aglycone:
COC(=O)c1ccc(O)c([N+](=O)[O-])c1.OCc1nnn[nH]1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: -1.7 Num_rotatable_bonds: 8
MolWt: 441.35 Num_heavy_atoms: 31
TPSA: 212.28 NumAromaticRings: 2

Unique Aglycone
AD06805
Formula: C8H7O5N

Smiles:
COC(=O)c1ccc(O)c([N+](=O)[O-])c1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.09 Num_rotatable_bonds: 2
MolWt: 197.15 Num_heavy_atoms: 14
TPSA: 89.67 NumAromaticRings: 1
AD07893
Formula: C2H4ON4

Smiles:
OCc1nnn[nH]1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: -1.31 Num_rotatable_bonds: 1
MolWt: 100.08 Num_heavy_atoms: 7
TPSA: 74.69 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O