PELARGONIN-3,2-GLUCOSYLRUTINOSIDE
Drag to rotate, scroll to zoom
Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 44256629
Name
PELARGONIN-3,2-GLUCOSYLRUTINOSIDE
IUPAC name
3-(((2S,5S)-4,5-dihydroxy-3-(((2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-((((2R,4S,5R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium
SMILES
CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H](C([C@@H](C(O6)CO)O)O)O)O)O)O)O)O
Molecular formula
C33H41O19+
Molecular weight
741.67 g/mol
Monoisotopic mass
741.2237 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Rubus idaeus L. subsp. idaeus | fruit | - |
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.
|