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ScientificNameLabel
Isoorientin-4'-O-glucoside
PHCD compound ID : 5664
Chemical Names :
Isoorientin-4'-O-glucoside
Molecular Formula : C27H30O16
Molecular Weight : 610.153385
More Details :
Names & Synonyms: 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one , 5,7-dihydroxy-2-[3-hydroxy-4-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one , 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 6-[(2S,4R,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-[4-[(2S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-phenyl]-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2O)c2cc(=O)c3c(o2)cc(c(c3O)[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C27H30O16/c28-6-15-19(33)22(36)24(38)26(41-15)18-11(32)5-14-17(21(18)35)10(31)4-13(40-14)8-1-2-12(9(30)3-8)42-27-25(39)23(37)20(34)16(7-29)43-27/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24+,25+,26+,27-/m1/s1
InChi Key : InChIKey=HVGLWBMWGLOBHA-LQXLOKKSSA-N
PubChem ID : 44257975
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 9.699527
Hydrogen bond donor count : 11 Electric dipole moment : 7.692
XLogP : -2.094 VDW volume : 511.517708
Molecular weight : 610.153385 HOMO-LUMO gap : 8.181000
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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