Glycoside
...
GD028136

Name:
None

Formula:
C21H25O10N3S

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2cccc([N+](=O)[O-])c2-c2cccc(NS(C)(=O)=O)c2)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CS(=O)(=O)Nc1cccc(-c2c(O)cccc2[N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.38
AlogP: -0.04 Num_rotatable_bonds: 8
MolWt: 511.51 Num_heavy_atoms: 35
TPSA: 197.56 NumAromaticRings: 2

Unique Aglycone
AD18421
Formula: C13H12O5N2S

Smiles:
CS(=O)(=O)Nc1cccc(-c2c(O)cccc2[N+](=O)[O-])c1
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.34 Num_rotatable_bonds: 4
MolWt: 308.32 Num_heavy_atoms: 21
TPSA: 109.54 NumAromaticRings: 2

Sugarmoiety
SD00014

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