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ScientificNameLabel
Peonidin 3'-glucoside
PHCD compound ID : 5066
Chemical Names :
Peonidin 3'-glucoside , Petunidin 3'-glucoside acetate
Molecular Formula : C22H23O12
Molecular Weight : 479.118951
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc(cc(c2O)OC)C2=[O]c3cc(O)cc(c3C=C2O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C22H23O12/c1-31-14-2-8(21-12(26)6-10-11(25)4-9(24)5-13(10)32-21)3-15(17(14)27)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-30H,7H2,1H3/t16-,18-,19+,20-,22-/m1/s1
InChi Key : InChIKey=YQGPYDLAWUYQMA-QKYBYQKWSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 7.948457
Hydrogen bond donor count : 8 Electric dipole moment : 6.561
XLogP : 0 VDW volume : 0
Molecular weight : 479.118951 HOMO-LUMO gap : 7.562000
Herb list :
Refrences & Litretures:
  
787.      Journal:'Molecules'      Year:'2017'      Volume:'22'      Page:'448'      DOI:'10.3390/molecules22030448'      Title:'Chemical Composition and Biological Activity of Allium cepa L. and Allium X cornutum (Clementi ex Visiani 1842) Methanolic Extracts'
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