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Quercetin glucoside I
PHCD compound ID : 3218
Chemical Names :
Quercetin glucoside I
Molecular Formula : C21H20O12
Molecular Weight : 464.095476
More Details :
Names & Synonyms: 3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one , 3,5,7-trihydroxy-2-[4-hydroxy-3-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one , 3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one , 2-[3-[(2S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]-3,5,7-tris(oxidanyl)chromen-4-one , 3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]chromone
Smiles: OC[C@H]1O[C@@H](Oc2cc(ccc2O)c2oc3cc(O)cc(c3c(=O)c2O)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)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19+,21-/m1/s1
InChi Key : InChIKey=YLWQTYZKYGNKPI-RONSJCHFSA-N
PubChem ID : 44259229
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 8.974075
Hydrogen bond donor count : 8 Electric dipole moment : 4.555
XLogP : 0.099 VDW volume : 384.937352
Molecular weight : 464.095476 HOMO-LUMO gap : 7.770000
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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