TENUIFOLIOSE A

Structure

2D structure of TENUIFOLIOSE A
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

TENUIFOLIOSE A

IUPAC name

(2S,3R,4R,5S)-2-(((2R,3S,4S,5R,6S)-4-(((2R,3R,4S,5S,6S)-5-acetoxy-6-(acetoxymethyl)-3-hydroxy-4-(((2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(acetoxymethyl)-5-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)-3-(((2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-5-(hydroxymethyl)-2-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)tetrahydrofuran-3-yl benzoate

SMILES

[C@H]1([C@@H](O[C@@H]([C@H]([C@H]1O[C@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O[C@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)OC(=O)C)COC(=O)C)O[C@@H]4O[C@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O[C@@]5(O[C@H]([C@H]([C@H]5OC(=O)C6=CC=CC=C6)O)CO)COC(=O)/C=C/C7=CC=C(C=C7)O)COC(=O)C)OC(=O)/C=C/C8=CC(=C(C=C8)O)OC

General information

Molecular formula

C62H76O35

Molecular weight

1,381.26 g/mol

Monoisotopic mass

1,380.4167 Da

Classification

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Polygala major Jacq. - -
Comprehensive characterization of in vivo metabolic profile of Polygalae radix based on ultra-high-performance liquid chromatography tandem mass spectrometry (SI) doi:10.1016/j.jpba.2018.12.005