BOG

octyl beta-D-glucopyranoside

Created:	1999-07-08
Last modified:	2020-07-17

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504 entries where BOG is found as a standalone ligand2 entries where BOG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	5
Bond Count	48
Aromatic Bond Count	0

2D diagram of BOG

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Chemical Component Summary
Name	octyl beta-D-glucopyranoside
Synonyms	Beta-Octylglucoside; octyl beta-D-glucoside; octyl D-glucoside; octyl glucoside
Systematic Name (OpenEye OEToolkits)	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxy-oxane-3,4,5-triol
Formula	C₁₄ H₂₈ O₆
Molecular Weight	292.369
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
SMILES	CACTVS	3.341	CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey	InChI	1.03	HEGSGKPQLMEBJL-RKQHYHRCSA-N

Related Resource References

Resource Name	Reference
PubChem	62852
ChEMBL	CHEMBL446037
ChEBI	CHEBI:41128, CHEBI:136667
CCDC/CSD	QAPVIN

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