MEDICARPIN-BETA-D-GLUCOSIDE

Structure

2D structure of MEDICARPIN-BETA-D-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

MEDICARPIN-BETA-D-GLUCOSIDE

IUPAC name

(2S,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(((6aR,11aR)-9-methoxytetradecahydro-1H-benzofuro[3,2-c]chromen-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol

SMILES

O(C1CC2C([C@H]3[C@@H](CO2)C2C(O3)CC(CC2)OC)CC1)[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O

General information

Molecular formula

C22H36O9

Molecular weight

444.52 g/mol

Monoisotopic mass

444.2359 Da

Classification

Pathway:
Superclass:
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Medicago sativa L. root -
Leung, A. Y. and Foster, S. 1995. Encyclopedia of Common Natural Ingredients 2nd Ed. John Wiley & Sons, New York. 649 pp.
Ononis natrix L. subsp. natrix aerial parts -
Al-khalil, S., Masalmeh, A., Abdalla, S., Tosa, H., Iinuma, M. (1995). N-arachidylanthranilic acid, a new derivative from Ononis natrix. J Nat Prod, 58(5), 760-763 doi:10.1021/np50119a018
Trifolium pratense L. subsp. pratense root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.