ALBOSIDE

Structure

2D structure of ALBOSIDE
2D structure
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3D model

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

Names and identifiers

Name

ALBOSIDE

IUPAC name

(1S,4aS,6S,7R,7aR)-1-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(((E)-3-(4-hydroxy-3-methoxycyclohexyl)acryloyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

SMILES

O1C=C([C@@H]2[C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)/C=C/C1CC(C(CC1)O)OC)O)O)CO)[C@H]([C@H](C2)O)C)C(=O)O

General information

Molecular formula

C26H38O13

Molecular weight

558.58 g/mol

Monoisotopic mass

558.2312 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Salix alba L. bark -
Pedersen, M. 1987. Nutritional Herbology. Pederson Publishing. Bountiful, Utah. 377 pp.
Salix alba L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.