AJUGOSIDE

Structure

2D structure of AJUGOSIDE
2D structure
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3D model

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

Names and identifiers

Name

AJUGOSIDE

IUPAC name

(1R,4aR,7R,7aR)-7-methyl-1-(((2S,3R,4R,5S,6R)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate

SMILES

O([C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@](O1)(CO)O)[C@@H]1[C@@H]2[C@@H](C=CO1)CC[C@@]2(C)OC(=O)C

General information

Molecular formula

C17H26O10

Molecular weight

390.39 g/mol

Monoisotopic mass

390.1526 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Ajuga reptans L. - -
J.S. Glasby Dict.Pls Containing 2ndary Metabolite. 1991.