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ScientificNameLabel
Cyanidin-3-O-(6"-O-acetyl)-glucoside
PHCD compound ID : 4065
Chemical Names :
Cyanidin-3-O-(6"-O-acetyl)-glucoside
Molecular Formula : C23H23O12
Molecular Weight : 492.126776
More Details :
Names & Synonyms:
Smiles: CC(=O)OC[C@H]1O[C@@H](OC2=C([OH+]c3c([CH]2)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C23H23O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,25-31H,8H2,1H3/q+1/t18-,19-,20+,21-,23-/m1/s1
InChi Key : InChIKey=VALXHCMFYSGMAV-ZFVIQDPVSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 11.859140
Hydrogen bond donor count : 7 Electric dipole moment : 7.433
XLogP : 0.645 VDW volume : 419.529321
Molecular weight : 492.126776 HOMO-LUMO gap : 6.647000
Herb list :
Refrences & Litretures:
  
559.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2013'      Volume:''      Page:'579319'      DOI:'10.1155/2013/579319'      Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology'
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