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ScientificNameLabel
delphinidin 3-O-(6"-acetylgalactoside)
PHCD compound ID : 5585
Chemical Names :
delphinidin 3-O-(6"-acetylgalactoside)
Molecular Formula : C23H23O13
Molecular Weight : 507.113866
More Details :
Names & Synonyms: [(3S,4S,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate , acetic acid [(3S,4S,6S)-6-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester , [(3S,4S,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate , [(3S,4S,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate , [(3S,4S,6S)-6-[5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate , acetic acid [(3S,4S,6S)-6-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21+,23-/m1/s1
InChi Key : InChIKey=QPXIWIXIRHZIMM-ZNCFPDGUSA-O
PubChem ID : 44256881
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 11.625840
Hydrogen bond donor count : 8 Electric dipole moment : 13.199
XLogP : 1.32 VDW volume : 416.101318
Molecular weight : 507.113866 HOMO-LUMO gap : 6.179000
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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