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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3-oxo-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid , 3-oxo-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[7-hydroxy-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-2-oxanyl]methoxy]propanoic acid , 3-oxo-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid , 3-[[(2R,3S,4R,5R,6S)-6-[5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3-oxidanylidene-propanoic acid , 3-keto-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[7-hydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]tetrahydropyran-2-yl]methoxy]propionic acid
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| Smiles: |
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@H]([C@H]2O)O)O)c([o+]3)c2cc(O)c(c(c2)O)O)[C@@H]([C@@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-4-10(32)3-14-11(15)5-16(28(46-14)9-1-12(33)21(38)13(34)2-9)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p+1/t17-,18-,22-,23-,24-,25-,26-,27-,29-,30-/m1/s1
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| InChi Key : |
InChIKey=KKMPMQKPBOCHRG-LVYADBDFSA-O
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| PubChem ID : |
21550811
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| Rotatable bond count : |
11
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Rule of five : |
3
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| Hydrogen bond acceptor count : |
19
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Ionization potential : |
11.477249
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| Hydrogen bond donor count : |
12
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Electric dipole moment : |
3.035
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| XLogP : |
-0.205
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VDW volume : |
583.71188
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| Molecular weight : |
713.156518
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HOMO-LUMO gap : |
6.355000
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| Herb list : |
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| Refrences & Litretures: |
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