PELARGONIN-3,5-DIGLYCOSIDE

Structure

2D structure of PELARGONIN-3,5-DIGLYCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

PELARGONIN-3,5-DIGLYCOSIDE

IUPAC name

7-hydroxy-2-(4-hydroxyphenyl)-3,5-bis(((2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium

SMILES

C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@H](O5)CO)O)O)O)O.[Cl-]

General information

Molecular formula

C27H31ClO15

Molecular weight

630.98 g/mol

Monoisotopic mass

630.1351 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Papaver rhoeas L. subsp. rhoeas flower -
Hashem, F.M., Afifi, M.S., Saad, H.A. (1980). Investigation of anthocyanin content of Papaver rhoeas L. growing in egypt. Egypt J Pharm Sci, 21(1/2), 33-41
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.