Glycoside
...
GD035409

Name:
None

Formula:
C21H22O10N2

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccccc2-c2cc(C(=O)O)cc([N+](=O)[O-])c2)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
O=C(O)c1cc(-c2ccccc2O)cc([N+](=O)[O-])c1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.33
AlogP: 0.28 Num_rotatable_bonds: 7
MolWt: 462.41 Num_heavy_atoms: 33
TPSA: 188.69 NumAromaticRings: 2

Unique Aglycone
AD09440
Formula: C13H9O5N

Smiles:
O=C(O)c1cc(-c2ccccc2O)cc([N+](=O)[O-])c1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.67 Num_rotatable_bonds: 3
MolWt: 259.22 Num_heavy_atoms: 19
TPSA: 100.67 NumAromaticRings: 2

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O