AUCUBIN-6-XYLOSIDE

Structure

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

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

Names and identifiers

Name

AUCUBIN-6-XYLOSIDE

IUPAC name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((1S,4aR,5S,7aS)-7-(hydroxymethyl)-5-(((2R,3S,4R,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol

SMILES

C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O[C@@H]3[C@H]([C@@H]([C@H](CO3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

General information

Molecular formula

C20H30O13

Molecular weight

478.45 g/mol

Monoisotopic mass

478.1686 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Verbascum blattaria L. - -
Grabias, B., Swiatek, L. (1987). Iridoid glucosides in Verbascum genus. Herba Pol, 33(4), 225-232
Verbascum phlomoides L. - -
Grabias, B., Swiatek, L. (1987). Iridoid glucosides in Verbascum genus. Herba Pol, 33(4), 225-232