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ScientificNameLabel
Lutonarin
PHCD compound ID : 2395
Chemical Names :
Lutonarin
Molecular Formula : C27H30O16
Molecular Weight : 610.153385
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-7-[[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,4R,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7-[(2S,4R,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
Smiles: OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)c2ccc(c(c2)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)18-14(42-27-25(39)23(37)20(34)16(7-29)43-27)5-13-17(21(18)35)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25+,26+,27-/m1/s1
InChi Key : InChIKey=OQKYVRDRDIXQMK-JESPXCAWSA-N
PubChem ID : 44257976
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 9.276306
Hydrogen bond donor count : 11 Electric dipole moment : 7.160
XLogP : -1.665 VDW volume : 511.517708
Molecular weight : 610.153385 HOMO-LUMO gap : 7.954000
Herb list :
Refrences & Litretures:
  
268.      Journal:'Allelopathy Journal'      Year:'2009'      Volume:'24'      Page:'225'      DOI:''      Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'
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