CATALPOL-6-XYLOSIDE

Structure

2D structure of CATALPOL-6-XYLOSIDE
2D structure
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3D model

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

Names and identifiers

Name

CATALPOL-6-XYLOSIDE

IUPAC name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-6-(((2R,3S,4R,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol

SMILES

C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O[C@@H]4[C@H]([C@@H]([C@H](CO4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

General information

Molecular formula

C20H30O14

Molecular weight

494.45 g/mol

Monoisotopic mass

494.1636 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Verbascum phlomoides L. - -
Swiatek, L., Luczak, S., Grabias, B. (1984). Occurrence of iridoids in various organs of Verbascum phlomoides L. and Verbascum thapsiforme Schrad. Farm Pol, 40(7), 415-418