CALENDOSIDE III

Structure

2D structure of CALENDOSIDE III
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

CALENDOSIDE III

IUPAC name

3-(((2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

SMILES

C25=C(C(C(=C(C1=CC=C(C(=C1)OC)O)O2)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](CO)O3)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)O)O)O)O)=O)C(=CC(=C5)O)O

General information

Molecular formula

C28H32O16

Molecular weight

624.55 g/mol

Monoisotopic mass

624.1690 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Astragalus monspessulanus L. subsp. monspessulanus - -
Chemical composition and antioxidant activity of Astragalus monspessulanus L. growing in semiarid areas of Algeria Flavoalkaloids and Flavonoids from Astragalus monspessulanus