CROCETIN-BETA-D-GENTIOBIOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10461942
Name
CROCETIN-BETA-D-GENTIOBIOSIDE
Also reported as
CROCIN-3
IUPAC name
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexadeca-2,4,6,8,10,12,14-heptaenoic acid
SMILES
CC(\C(=C(\C(=C(/C)C(=O)O)[H])[H])[H])=C(/C(=C(/C(=C(C)/C(=C(/C(=C(\C)C(=O)O[C@@H]2O[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)[H])[H])[H])[H])[H])[H])[H]
Molecular formula
C32H44O14
Molecular weight
652.69 g/mol
Monoisotopic mass
652.2731 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Crocus vernus (L.) Hill | - | - |
J.S. Glasby Dict.Pls Containing 2ndary Metabolite. 1991.
|
| Crocus vernus (L.) Hill | flower | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|