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ScientificNameLabel
Isorhamnetin-O-sophoroside
PHCD compound ID : 5667
Chemical Names :
Isorhamnetin-O-sophoroside
Molecular Formula : C28H32O17
Molecular Weight : 640.16395
More Details :
Names & Synonyms: 3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one , 3-[[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one , 3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one , 3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one , 3-[(2S,5S)-6-(hydroxymethyl)-3-[(2S,3R,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one , 3-[(2S,5S)-4,5-dihydroxy-6-methylol-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone
Smiles: OC[C@@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)OC)O)[C@@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)32)24-25(20(36)17-12(33)5-10(31)6-14(17)41-24)44-28-26(22(38)19(35)16(8-30)43-28)45-27-23(39)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,26-35,37-39H,7-8H2,1H3/t15-,16+,18-,19-,21-,22-,23-,26-,27+,28+/m1/s1
InChi Key : InChIKey=JWCIGPTUZBZFDW-IGDSQESQSA-N
PubChem ID : 44258015
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 17 Ionization potential : 8.911605
Hydrogen bond donor count : 10 Electric dipole moment : 6.725
XLogP : -1.546 VDW volume : 537.603919
Molecular weight : 640.16395 HOMO-LUMO gap : 7.826000
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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