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Quercetin glucoside III
PHCD compound ID : 3232
Chemical Names :
Quercetin glucoside III
Molecular Formula : C21H20O12
Molecular Weight : 464.095476
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-5-[(2S,4S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,7-bis(oxidanyl)chromen-4-one , 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c(c(o3)c2ccc(c(c2)O)O)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-12-5-8(23)4-11-14(12)16(27)18(29)20(31-11)7-1-2-9(24)10(25)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19+,21-/m1/s1
InChi Key : InChIKey=QJTYCCFDQWFJHU-RONSJCHFSA-N
PubChem ID : 44259222
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 8.746087
Hydrogen bond donor count : 8 Electric dipole moment : 2.726
XLogP : 0.528 VDW volume : 384.937352
Molecular weight : 464.095476 HOMO-LUMO gap : 7.567000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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