CYANIDIN-3-O-(6-O-TRANS-P-COUMAROYL-2-O-BETA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-GLUCOPYRANOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 157010002
Name
CYANIDIN-3-O-(6-O-TRANS-P-COUMAROYL-2-O-BETA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-GLUCOPYRANOSIDE
IUPAC name
3-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(O)=C(O)C=C3)O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Molecular formula
C35H35O17+
Molecular weight
727.65 g/mol
Monoisotopic mass
727.1869 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Sambucus nigra L. | fruit | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|