BGL

2-O-octyl-beta-D-glucopyranose

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

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15 entries where BGL is found as a standalone ligand

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

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

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCCCCCCC)C1C(O)C(O)C(OC1O)CO
SMILES	CACTVS	3.341	CCCCCCCCO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCOC1C(C(C(OC1O)CO)O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCO[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
InChI	InChI	1.03	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-13-12(17)11(16)10(9-15)20-14(13)18/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey	InChI	1.03	BVHPDIWLWHHJPD-RKQHYHRCSA-N

Drug Info: DrugBank

DrugBank ID	DB03152
Name	B-2-Octylglucoside
Groups	experimental
Synonyms	B-2-Octylglucoside

Drug Targets

Name	Target Sequence	Pharmacological Action
H subunit of photosynthetic reaction center complex	ITHYIDAAQITIWAFWLFFFGLIIYLRREDKREGYPLDSNRTERSGGRVK...	unknown
Aquaporin Z	MFRKLAAECFGTFWLVFGGCGSAVLAAGFPELGIGFAGVALAFGLTVLTM...	unknown
Cytochrome b	MSGIPHDHYEPRTGIEKWLHSRLPIVALAYDTIMIPTPRNLNWMWIWGVV...	unknown
Ubiquinol-cytochrome c reductase iron-sulfur subunit	MSNAEDHAGTRRDFLYYATAGAGAVATGAAVWPLINQMNPSADVQALASI...	unknown
Cytochrome c1	MIRKLTLTAATALALSGGAAMAAGGGHVEDVPFSFEGPFGTFDQHQLQRG...	unknown
Rhodopsin	MNGTEGPNFYVPFSNATGVVRSPFEYPQYYLAEPWQFSMLAAYMFLLIVL...	unknown
Protein-glutamine gamma-glutamyltransferase E	MAALGVQSINWQTAFNRQAHHTDKFSSQELILRRGQNFQVLMIMNKGLGS...	unknown
DNA polymerase I, thermostable	MRGMLPLFEPKGRVLLVDGHHLAYRTFHALKGLTTSRGEPVQAVYGFAKS...	unknown
Aquaporin Z	MFRKLAAECFGTFWLVFGGCGSAVLAAGFPELGIGFAGVALAFGLTVLTM...	unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682