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Summary Geometry Related PDB entries

BS7

Summary

Name:	8-hydroxyquinoline beta-galactopyranoside
Synonyms:	quinolin-8-yl beta-D-galactopyranoside 8-hydroxyquinoline beta-galactoside
Formula:	C15 H17 N O6
Formal charge:	0
Formula weight:	307.299 Da
Component type:	D-saccharide

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	quinolin-8-yl beta-D-galactopyranoside
OpenEye OEToolkits	2.0.6	(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-quinolin-8-yloxy-oxane-3,4,5-triol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3(C(C(Oc2c1c(cccn1)ccc2)OC(C3O)CO)O)O
InChI	InChI	1.03	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
InChIKey	InChI	1.03	BWMXDESAZVPVGR-BGNCJLHMSA-N
SMILES_CANONICAL	CACTVS	3.385	OC[C@H]1O[C@@H](Oc2cccc3cccnc23)[C@H](O)[C@@H](O)[C@H]1O
SMILES	CACTVS	3.385	OC[CH]1O[CH](Oc2cccc3cccnc23)[CH](O)[CH](O)[CH]1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
SMILES	OpenEye OEToolkits	2.0.6	c1cc2cccnc2c(c1)OC3C(C(C(C(O3)CO)O)O)O

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