BS7

8-hydroxyquinoline beta-galactopyranoside

Created:2017-08-23
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count5
Bond Count41
Aromatic Bond Count11
2D diagram of BS7

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Chemical Component Summary

Name8-hydroxyquinoline beta-galactopyranoside
Synonymsquinolin-8-yl beta-D-galactopyranoside; 8-hydroxyquinoline beta-galactoside
Systematic Name (OpenEye OEToolkits)(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-quinolin-8-yloxy-oxane-3,4,5-triol
FormulaC15 H17 N O6
Molecular Weight307.299
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C3(C(C(Oc2c1c(cccn1)ccc2)OC(C3O)CO)O)O
SMILESCACTVS3.385OC[CH]1O[CH](Oc2cccc3cccnc23)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.6c1cc2cccnc2c(c1)OC3C(C(C(C(O3)CO)O)O)O
Canonical SMILESCACTVS3.385 OC[C@H]1O[C@@H](Oc2cccc3cccnc23)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChIInChI1.03 InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12+,13+,14-,15-/m1/s1
InChIKeyInChI1.03 BWMXDESAZVPVGR-BGNCJLHMSA-N

Related Resource References

Resource NameReference
PubChem 9879604