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ScientificNameLabel
Myricetin-3-O-galactoside
PHCD compound ID : 4564
Chemical Names :
Myricetin-3-O-galactoside
Molecular Formula : C21H20O13
Molecular Weight : 480.090391
More Details :
Names & Synonyms: 5,7-dihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one , 5,7-dihydroxy-3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one , 5,7-dihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one , 3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one , 5,7-dihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromone
Smiles: OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1
InChi Key : InChIKey=FOHXFLPXBUAOJM-MGMURXEASA-N
PubChem ID : 53809877
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 9.248403
Hydrogen bond donor count : 9 Electric dipole moment : 5.846
XLogP : 0.447 VDW volume : 393.727579
Molecular weight : 480.090391 HOMO-LUMO gap : 7.837000
Herb list :
Refrences & Litretures:
  
700.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'1242'      DOI:'10.1016/j.foodchem.2010.05.094'      Title:'Chemical composition and antioxidant activities of Myrtus communis L. berries extracts'
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