Glycoside
...
GD099093

Name:
None

Formula:
C15H17O10N4ClS

Smiles:
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: 0.57 Num_rotatable_bonds: 6
MolWt: 468.83 Num_heavy_atoms: 30
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
AD42180
Formula: C9H5O2N4Cl

Smiles:
Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-]
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.77 Num_rotatable_bonds: 1
MolWt: 224.61 Num_heavy_atoms: 15
TPSA: 94.94 NumAromaticRings: 2

Sugarmoiety
SD00017

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