Skip Navigation Links
ScientificNameLabel
cyanidin-3-alpha-L-arabinosid
PHCD compound ID : 4108
Chemical Names :
cyanidin-3-alpha-L-arabinosid
Molecular Formula : C20H19O10
Molecular Weight : 419.097822
More Details :
Names & Synonyms: (2S,3R,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxytetrahydropyran-3,4,5-triol , (2S,3R,4S,5S)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]oxane-3,4,5-triol , (2S,3R,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol , (2S,3R,4S,5S)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromenylium-3-yl]oxyoxane-3,4,5-triol , (2S,3R,4S,5S)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]tetrahydropyran-3,4,5-triol
Smiles: Oc1cc(O)c2c(c1)[o+]c(c(c2)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1/t14-,17-,18+,20-/m0/s1
InChi Key : InChIKey=KUCVMQMKRICXJC-DEYWJSPQSA-O
PubChem ID : 12137509
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 11.706476
Hydrogen bond donor count : 7 Electric dipole moment : 6.032
XLogP : 0.904 VDW volume : 340.479143
Molecular weight : 419.097822 HOMO-LUMO gap : 6.304000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us