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Delphinidin 3'-glucoside
PHCD compound ID : 5067
Chemical Names :
Delphinidin 3'-glucoside
Molecular Formula : C21H21O12
Molecular Weight : 465.103301
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc(cc(c2O)O)C2=[O]c3cc(O)cc(c3C=C2O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C21H21O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-2-7(1-11(25)16(14)27)20-12(26)5-9-10(24)3-8(23)4-13(9)31-20/h1-5,15,17-19,21-30H,6H2/t15-,17-,18+,19-,21-/m1/s1
InChi Key : InChIKey=SHZGXHSOEYPGAS-PEVLUNPASA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 8.118221
Hydrogen bond donor count : 9 Electric dipole moment : 5.849
XLogP : 0 VDW volume : 0
Molecular weight : 465.103301 HOMO-LUMO gap : 7.503000
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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