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ScientificNameLabel
delphinidin 3-O-(2"-galloyl-6"-acetylgalactoside)
PHCD compound ID : 5584
Chemical Names :
delphinidin 3-O-(2"-galloyl-6"-acetylgalactoside)
Molecular Formula : C30H27O17
Molecular Weight : 659.124824
More Details :
Names & Synonyms:
Smiles: CC(=O)OC[C@H]1O[C@@H](OC2=Cc3c(O)cc(cc3[O]=C2c2cc(O)c(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C30H27O17/c1-10(31)43-9-22-25(40)26(41)28(47-29(42)12-4-18(36)24(39)19(37)5-12)30(46-22)45-21-8-14-15(33)6-13(32)7-20(14)44-27(21)11-2-16(34)23(38)17(35)3-11/h2-8,22,25-26,28,30,32-41H,9H2,1H3/t22-,25-,26+,28-,30-/m1/s1
InChi Key : InChIKey=BBIBBVVZKVPCCP-DIRVESSCSA-N
PubChem ID :
Rotatable bond count : 9 Rule of five : 2
Hydrogen bond acceptor count : 17 Ionization potential : 8.059288
Hydrogen bond donor count : 10 Electric dipole moment : 5.495
XLogP : 0 VDW volume : 0
Molecular weight : 659.124824 HOMO-LUMO gap : 6.879000
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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