Skip Navigation Links
ScientificNameLabel
Quercetin glycosides acylated with p-coumaric acid
PHCD compound ID : 1564
Chemical Names :
Quercetin glycosides acylated with p-coumaric acid
Molecular Formula : C23H22O13
Molecular Weight : 506.106041
More Details :
Names & Synonyms: [(2R,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate , acetic acid [(2R,3S,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester , [(2R,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate , [(2R,3S,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate , acetic acid [(2R,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20+,23+/m1/s1
InChi Key : InChIKey=IGLUNMMNDNWZOA-YAXXWDSTSA-N
PubChem ID : 44259187
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 9.025942
Hydrogen bond donor count : 7 Electric dipole moment : 1.724
XLogP : 0.41 VDW volume : 425.683089
Molecular weight : 506.106041 HOMO-LUMO gap : 7.989000
Herb list :
Refrences & Litretures:
  
173.      Journal:'Food and Chemical Toxicology'      Year:'2009'      Volume:'47'      Page:'1372'      DOI:'10.1016/j.fct.2009.03.017'      Title:'Protective effect of quince (Cydonia oblonga Miller) fruit against oxidative hemolysis of human erythrocytes'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us