Glycoside
...
GD079900

Name:
None

Formula:
C13H16O9N3ClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2nc(Cl)nc3ccoc23)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1nc(Cl)nc2ccoc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.5
AlogP: 0.25 Num_rotatable_bonds: 5
MolWt: 413.79 Num_heavy_atoms: 26
TPSA: 190.79 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
AD30035
Formula: C7H4ON3Cl

Smiles:
Nc1nc(Cl)nc2ccoc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.46 Num_rotatable_bonds: 0
MolWt: 169.57 Num_heavy_atoms: 11
TPSA: 64.94 NumAromaticRings: 2

Sugarmoiety
SD00017

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