 |
BOG : Summary
Code 
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BOG
|
One-letter code
|
X
|
Molecule name
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octyl beta-D-glucopyranoside
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Synonyms
|
Beta-Octylglucoside
octyl beta-D-glucoside
octyl D-glucoside
octyl glucoside
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Systematic names
|
|
Formula
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C14 H28 O6
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Formal charge
|
0
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Molecular weight
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292.369 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
|
ACDLabs |
10.04 |
O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO |
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SMILES
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CACTVS |
3.341 |
CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
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SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O |
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Canonical SMILES
|
CACTVS |
3.341 |
CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
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Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
|
IUPAC InChI | 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 |
IUPAC InChI key | HEGSGKPQLMEBJL-RKQHYHRCSA-N |
|
wwPDB Information |
Atom count
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48 (20 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide
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Type code
|
ATOMS
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Is modified
|
Yes
|
Standard parent
|
BGC
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Defined at
|
1999-07-08
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Last modified at
|
2020-07-17
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Status
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Released
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Obsoleted
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Not Assigned
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Protein Data Bank 
