Glycoside
...
GD082583

Name:
None

Formula:
C11H15O10N4ClS

Smiles:
O=[N+]([O-])c1cnc(Cl)nc1N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.Nc1nc(Cl)ncc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.6
AlogP: -0.59 Num_rotatable_bonds: 6
MolWt: 418.77 Num_heavy_atoms: 26
TPSA: 220.79 NumAromaticRings: 1

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
AD29115
Formula: C5H3O2N4Cl

Smiles:
Nc1nc(Cl)ncc1[N+](=O)[O-]
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 1
MolWt: 174.55 Num_heavy_atoms: 11
TPSA: 94.94 NumAromaticRings: 1

Sugarmoiety
SD00017

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