Glycoside
...
GD088868

Name:
None

Formula:
C14H18O10N4S

Smiles:
O=[N+]([O-])c1cccc2ncnc(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c12

Aglycone:
COS(O)(O)O.Nc1ncnc2cccc([N+](=O)[O-])c12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: -0.09 Num_rotatable_bonds: 6
MolWt: 434.38 Num_heavy_atoms: 29
TPSA: 220.79 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD32071
Formula: C8H6O2N4

Smiles:
Nc1ncnc2cccc([N+](=O)[O-])c12
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.12 Num_rotatable_bonds: 1
MolWt: 190.16 Num_heavy_atoms: 14
TPSA: 94.94 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O