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ScientificNameLabel
quercetin-3-O-alpha-L-arabofuranoside
PHCD compound ID : 2034
Chemical Names :
quercetin-3-O-alpha-L-arabofuranoside
Molecular Formula : C20H18O11
Molecular Weight : 434.084911
More Details :
Names & Synonyms: 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one , 3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one , 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one , 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone
Smiles: OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1
InChi Key : InChIKey=BDCDNTVZSILEOY-UXYNSRGZSA-N
PubChem ID : 5490064
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.335424
Hydrogen bond donor count : 7 Electric dipole moment : 10.333
XLogP : 0.342 VDW volume : 358.851141
Molecular weight : 434.084911 HOMO-LUMO gap : 8.102000
Herb list :
Refrences & Litretures:
  
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'
244.      Journal:'Chemistry of Natural Compounds'      Year:'2002'      Volume:'38'      Page:'102'      DOI:''      Title:'FLAVONOIDS OF Alhagi persarum'
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