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ScientificNameLabel
Isorhamnetin-7-O-(6"-O-acetyl)-glucoside
PHCD compound ID : 4058
Chemical Names :
Isorhamnetin-7-O-(6"-O-acetyl)-glucoside
Molecular Formula : C24H24O13
Molecular Weight : 520.121691
More Details :
Names & Synonyms:
Smiles: COc1cc(ccc1O)c1oc2cc(O[C@@H]3O[C@H](COC(=O)C)[C@H]([C@@H]([C@@H]3O)O)O)cc(c2c(=O)c1O)O
InChi : InChI=1S/C24H24O13/c1-9(25)34-8-16-18(28)20(30)22(32)24(37-16)35-11-6-13(27)17-15(7-11)36-23(21(31)19(17)29)10-3-4-12(26)14(5-10)33-2/h3-7,16,18,20,22,24,26-28,30-32H,8H2,1-2H3/t16-,18-,20+,22+,24-/m1/s1
InChi Key : InChIKey=KGMKTSUPKNUAQP-VJCGCUAFSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 8.725321
Hydrogen bond donor count : 6 Electric dipole moment : 3.511
XLogP : 0.731 VDW volume : 442.979074
Molecular weight : 520.121691 HOMO-LUMO gap : 7.665000
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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