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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-1-benzopyrylium-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
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| Smiles: |
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(OC)c(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1
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| InChi Key : |
InChIKey=PXUQTDZNOHRWLI-OXUVVOBNSA-O
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| PubChem ID : |
443652
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| Rotatable bond count : |
6
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
11
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Ionization potential : |
11.746178
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
9.457
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| XLogP : |
0.793
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VDW volume : |
409.94755
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| Molecular weight : |
493.134601
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HOMO-LUMO gap : |
6.094000
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| Herb list : |
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| Refrences & Litretures: |
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