MOLLUGOSIDE

Structure

2D structure of MOLLUGOSIDE
2D structure
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3D model

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

Names and identifiers

Name

MOLLUGOSIDE

IUPAC name

(1S,7S)-7-hydroxy-4-(methoxycarbonyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-7-carboxylic acid

SMILES

C1(=CO[C@H](C2(C1(C=C[C@]2(C(=O)O)O)[H])[H])O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C(=O)OC

General information

Molecular formula

C17H22O12

Molecular weight

418.35 g/mol

Monoisotopic mass

418.1111 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Galium mollugo L. - -
Davini, E., Esposito, P., Lavarone, C., Sen, A., Trogolo, C., Villa, S. (1981). New iridoids from reinvestigation of Galium mollugo, Arbutus unedo and Deutzia scabra. Int Conf Chem Biotechnol Biol Act Nat Prod (Proc) 1St, 3, 326-331
Galium mollugo L. aerial parts -
Iavarone, C., Sen, A., Trogolo, C., Villa, S. (1983). Mollugoside, an iridoid glucoside from Galium mollugo. Phytochemistry, 22(1), 175-178 doi:10.1016/s0031-9422(00)80082-5