DICHOTOMIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 56924627
Name
DICHOTOMIN
IUPAC name
(2S,3R,4R,5R,6S)-2-(((2S,3R,4S,5R,6S)-4,5-dihydroxy-6-(((2R,3S,4S,5R,6R)-4-hydroxy-6-(((4S,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-10-hydroxy-6a,8a,9-trimethyl-10-((R)-3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl)oxy)-2-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Molecular formula
C57H94O26
Molecular weight
1,195.35 g/mol
Monoisotopic mass
1,194.6033 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Panicum dichotomiflorum Michx. | - | - |
Munday, S.C., Wilkins, A.L., Miles, C.O., Holland, P.T. (1993). Isolation and structure elucidation of dichotomin, a furostanol saponin implicated hepatogenous photosensitization of sheep grazing Panicum dichotomiflorum. J Agr Food Chem, 41(2), 267-271 doi:10.1021/jf00026a025
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