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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] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxy-ethanimidothioate , 2-(4-methoxy-1H-indol-3-yl)-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] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate , [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxy-ethanimidothioate , 2-(4-methoxy-1H-indol-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)/Cc2c[nH]c3c2c(OC)ccc3)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-/t11-,14-,15+,16-,17+/m1/s1
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| InChi Key : |
InChIKey=IIAGSABLXRZUSE-KYKLFQSUSA-N
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| PubChem ID : |
656563
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| Rotatable bond count : |
8
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
10
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Ionization potential : |
8.261931
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| Hydrogen bond donor count : |
6
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Electric dipole moment : |
4.227
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| XLogP : |
-1.571
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VDW volume : |
377.450363
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| Molecular weight : |
478.071587
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HOMO-LUMO gap : |
7.439000
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| Herb list : |
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| Refrences & Litretures: |
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