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ScientificNameLabel
Kaempferol-3-O-glucoside-7-rhamnoside
PHCD compound ID : 5671
Chemical Names :
Kaempferol-3-O-glucoside-7-rhamnoside
Molecular Formula : C27H30O15
Molecular Weight : 594.15847
More Details :
Names & Synonyms: 5-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-1-benzopyran-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one , 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-7-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-chromone
Smiles: OC[C@@H]1O[C@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O[C@H]2O[C@H](C)[C@H]([C@@H]([C@@H]2O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18-,20+,21+,22+,23-,26-,27-/m1/s1
InChi Key : InChIKey=JYXSWDCPHRTYGU-WFIBLKSYSA-N
PubChem ID : 14035324
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 15 Ionization potential : 9.535377
Hydrogen bond donor count : 9 Electric dipole moment : 4.111
XLogP : -0.852 VDW volume : 502.727481
Molecular weight : 594.15847 HOMO-LUMO gap : 8.607000
Herb list :
Refrences & Litretures:
  
955.      Journal:'Revista Brasileira de Farmacognosia'      Year:'2015'      Volume:'25'      Page:'134'      DOI:'10.1016/j.bjp.2015.02.008'      Title:'HPLC-DAD-MS/MS profiling of phenolics from Securigera securidaca ?owers and its anti-hyperglycemic and anti-hyperlipidemic activities'
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