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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxy-ethanimidothioate , (1Z)-2-(1-methoxy-3-indolyl)-N-sulfooxyethanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester , [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate , [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxy-ethanimidothioate , (1Z)-2-(1-methoxyindol-3-yl)-N-sulfoxy-thioacetimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
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| Smiles: |
OC[C@H]1O[C@@H](S/C(=N\OS(=O)(=O)O)/Cc2cn(c3c2cccc3)OC)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16-,17+/m1/s1
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| InChi Key : |
InChIKey=PKKMITFKYRCCOL-JMZFCNQTSA-N
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| PubChem ID : |
9576416
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| Rotatable bond count : |
8
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
8.582257
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
5.035
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| XLogP : |
-2.082
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VDW volume : |
377.450363
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| Molecular weight : |
478.071587
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HOMO-LUMO gap : |
7.632000
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| Herb list : |
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| Refrences & Litretures: |
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