Glycoside
...
GD099089

Name:
None

Formula:
C13H15O10N3Cl2S

Smiles:
O=[N+]([O-])c1cc(Cl)c(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)c(Cl)cc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.55
AlogP: 0.67 Num_rotatable_bonds: 6
MolWt: 452.23 Num_heavy_atoms: 27
TPSA: 207.9 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
AD33082
Formula: C7H3O2N3Cl2

Smiles:
Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-]
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.88 Num_rotatable_bonds: 1
MolWt: 208.0 Num_heavy_atoms: 12
TPSA: 82.05 NumAromaticRings: 1

Sugarmoiety
SD00017

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