CROCIN-2
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 71571499
Name
CROCIN-2
IUPAC name
1-((2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl) 16-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl) (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
SMILES
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
Molecular formula
C37H52O19
Molecular weight
800.80 g/mol
Monoisotopic mass
800.3103 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| 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.
|