EBULOSIDE,6'-O-APIOSYL

Structure

2D structure of EBULOSIDE,6'-O-APIOSYL
2D structure
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3D model

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

Names and identifiers

Name

EBULOSIDE,6'-O-APIOSYL

IUPAC name

(1S,4aS,7R,7aS)-4-((((2R,3R,4S,5S,6R)-6-((((2R,3S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)-7-methyl-6-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 3-methylbutanoate

SMILES

C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2OC(=O)CC(C)C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@H](C(CO4)(CO)O)O)O)O)O

General information

Molecular formula

C26H40O14

Molecular weight

576.59 g/mol

Monoisotopic mass

576.2418 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Sambucus ebulus L. root -
Gross, G.A., Sticher, O., Anklin, C. (1987). New iridoid glycosides and a monoterpene glycoside from Sambucus ebulus L. (Caprifoliaceae). Helv Chim Acta, 70(1), 91-101