Glycoside
...
GD085853

Name:
None

Formula:
C18H20O7N2S

Smiles:
O=[N+]([O-])c1cc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(Sc2ccccc2)c1

Aglycone:
Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.33
AlogP: 0.96 Num_rotatable_bonds: 6
MolWt: 408.43 Num_heavy_atoms: 28
TPSA: 145.32 NumAromaticRings: 2

Unique Aglycone
AD36254
Formula: C12H10O2N2S

Smiles:
Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 3.33 Num_rotatable_bonds: 3
MolWt: 246.29 Num_heavy_atoms: 17
TPSA: 69.16 NumAromaticRings: 2

Sugarmoiety
SD00003

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