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ScientificNameLabel
1-O-beta-methyl-glucoside
PHCD compound ID : 2042
Chemical Names :
1-O-beta-methyl-glucoside , Methyl-beta-D-glucopyranoside
Molecular Formula : C7H14O6
Molecular Weight : 194.079038
More Details :
Names & Synonyms: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol , (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol , (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol , (2R,3R,4S,5S,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChi Key : InChIKey=HOVAGTYPODGVJG-XUUWZHRGSA-N
PubChem ID : 445238
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 10.374005
Hydrogen bond donor count : 4 Electric dipole moment : 0.934
XLogP : -1.607 VDW volume : 170.013253
Molecular weight : 194.079038 HOMO-LUMO gap : 11.609000
Herb list :
Refrences & Litretures:
  
269.      Journal:'Zeitschrift fur Naturforschung C'      Year:'1998'      Volume:'53'      Page:'811'      DOI:''      Title:'Chemical Constituents from Shoots of Hordeum vulgare Infested by the Aphid Schizaphis graminum'
243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
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