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ScientificNameLabel
quercetin-3-O-alpha-D-arabinosid
PHCD compound ID : 4109
Chemical Names :
quercetin-3-O-alpha-D-arabinosid
Molecular Formula : C20H18O11
Molecular Weight : 434.084911
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2R,3S,4R,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-chromone
Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m1/s1
InChi Key : InChIKey=PZZRDJXEMZMZFD-KRLKJCFRSA-N
PubChem ID : 12309865
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.343440
Hydrogen bond donor count : 7 Electric dipole moment : 7.006
XLogP : 0.342 VDW volume : 358.851141
Molecular weight : 434.084911 HOMO-LUMO gap : 8.014000
Herb list :
Refrences & Litretures:
  
570.      Journal:'Food Research International'      Year:'2000'      Volume:'33'      Page:'423'      DOI:''      Title:'Review on polyphenols in Theobroma cacao: changes in composition during the manufacture of chocolate and methodology for identification and quantification'
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