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ScientificNameLabel
cyanidin 3-O-galactoside
PHCD compound ID : 5588
Chemical Names :
cyanidin 3-O-galactoside
Molecular Formula : C21H21O11
Molecular Weight : 449.108386
More Details :
Names & Synonyms: (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,3R,4S,5R,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5R,6R)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5R,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1
InChi Key : InChIKey=RKWHWFONKJEUEF-WVXKDWSHSA-O
PubChem ID : 441699
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 11.707174
Hydrogen bond donor count : 8 Electric dipole moment : 4.809
XLogP : 0.661 VDW volume : 366.565354
Molecular weight : 449.108386 HOMO-LUMO gap : 6.410000
Herb list :
Refrences & Litretures:
  
944.      Journal:'The Journal of Horticultural Science and Biotechnology'      Year:'2001'      Volume:'76'      Page:'213'      DOI:'10.1080/14620316.2001.11511353'      Title:'Cyanidin 3-(6 99-acetylgalactoside) and other anthocyanins fromreddish leaves of the water lily, Nymphaea alba'
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