Glycoside
...
GD006113

Name:
None

Formula:
C20H19O10N3Cl2S2

Smiles:
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C(O)O[C@H](CNS(=O)(=O)c3cccc(Cl)c3Cl)[C@H](O)[C@H]2O)c1

Aglycone:
CNS(=O)(=O)c1cccc(Cl)c1Cl.NS(=O)(=O)c1cccc([N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.33
AlogP: -0.03 Num_rotatable_bonds: 8
MolWt: 572.4 Num_heavy_atoms: 35
TPSA: 205.4 NumAromaticRings: 2

Unique Aglycone
AD00037
Formula: C9H7O2NCl2S

Smiles:
CNS(=O)(=O)c1cccc(Cl)c1Cl
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.9 Num_rotatable_bonds: 2
MolWt: 240.11 Num_heavy_atoms: 13
TPSA: 46.17 NumAromaticRings: 1
AD05085
Formula: C6H6O4N2S

Smiles:
NS(=O)(=O)c1cccc([N+](=O)[O-])c1
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.24 Num_rotatable_bonds: 2
MolWt: 202.19 Num_heavy_atoms: 13
TPSA: 103.3 NumAromaticRings: 1

Sugarmoiety
SD00017

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