Glycoside
...
GD024280

Name:
None

Formula:
C21H21O10N

Smiles:
CC(=O)O[C@@H]1[C@H](Oc2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)O[C@H](CO)[C@H](O)[C@H]1O

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

Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 3 FractionCSP3: 0.33
AlogP: 0.58 Num_rotatable_bonds: 7
MolWt: 447.4 Num_heavy_atoms: 32
TPSA: 165.66 NumAromaticRings: 2

Unique Aglycone
AD02841
Formula: C13H9O4N

Smiles:
O=C(c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.53 Num_rotatable_bonds: 3
MolWt: 243.22 Num_heavy_atoms: 18
TPSA: 80.44 NumAromaticRings: 2

Sugarmoiety
SD00313

CC(=O)OC1C(O)OC(CO)C(O)C1O