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BGL

Summary
Name:2-O-octyl-beta-D-glucopyranose
Synonyms:2-O-octyl-beta-D-glucose
2-O-octyl-D-glucose; 2-O-octyl-glucose
Formula:C14 H28 O6
Formal charge:0
Formula weight:292.369 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-O-octyl-beta-D-glucopyranose
OpenEye OEToolkits1.5.0(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-octoxy-oxane-2,4,5-triol
PDB-CARE1.0b-D-Glcp2octyl

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCCCCCCC)C1C(O)C(O)C(OC1O)CO
SMILES_CANONICALCACTVS3.341CCCCCCCCO[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341CCCCCCCCO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCOC1C(C(C(OC1O)CO)O)O
InChIInChI1.03InChI=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
InChIKeyInChI1.03BVHPDIWLWHHJPD-RKQHYHRCSA-N

222926

数据于2024-07-24公开中

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