NEOISOSCHAFTOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 44257701
Name
NEOISOSCHAFTOSIDE
IUPAC name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2R,4R,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
SMILES
C1[C@@H]([C@H](C([C@H](O1)C2=C(C3=C(C(=C2O)[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)OC(=CC3=O)C5=CC=C(C=C5)O)O)O)O)O
Molecular formula
C26H28O14
Molecular weight
564.50 g/mol
Monoisotopic mass
564.1479 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Crataegus monogyna Jacq. | leaf | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|