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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-(1H-indol-3-yl)-N-sulfooxy-ethanimidothioate , (1Z)-2-(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] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate , [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxy-ethanimidothioate , (1Z)-2-(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]c3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12-/t11-,13-,14+,15-,16+/m1/s1
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| InChi Key : |
InChIKey=DNDNWOWHUWNBCK-PIAXYHQTSA-N
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| PubChem ID : |
6602378
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| Rotatable bond count : |
7
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
8.569309
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| Hydrogen bond donor count : |
6
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Electric dipole moment : |
3.227
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| XLogP : |
-1.6
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VDW volume : |
351.364152
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| Molecular weight : |
448.061022
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HOMO-LUMO gap : |
7.673000
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| Herb list : |
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| Refrences & Litretures: |
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