ASPERULOSIDIC ACID-10-DEACETYL

Structure

2D structure of ASPERULOSIDIC ACID-10-DEACETYL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 12315349

Names and identifiers

Name

ASPERULOSIDIC ACID-10-DEACETYL

IUPAC name

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

SMILES

C1=C([C@H]2[C@@H]([C@H]1O)C(=CO[C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO

General information

Molecular formula

C16H22O11

Molecular weight

390.34 g/mol

Monoisotopic mass

390.1162 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Cruciata glabra (L.) C.Bauhin ex Opiz aerial parts -
Mitova, M.I., Anchev, M.E., Panev, S.G., Handjieva, N.V., Popov, S.S. (1996). Coumarins and iridoids from Crucianella graeca, Gruciata glabra, Cruciata laevipes and Curciata pedemontana (Rubiaceae). Z Naturforsch Ser C, 51(1/10), 631-634 doi:10.1515/znc-1996-9-1005
Cruciata laevipes Opiz aerial parts -
Mitova, M.I., Anchev, M.E., Panev, S.G., Handjieva, N.V., Popov, S.S. (1996). Coumarins and iridoids from Crucianella graeca, Gruciata glabra, Cruciata laevipes and Curciata pedemontana (Rubiaceae). Z Naturforsch Ser C, 51(1/10), 631-634 doi:10.1515/znc-1996-9-1005
Galium album Mill. - -
Chervenkova, K., Nikolovadamyanova, B. (2000). The elution pattern of iridoid glucosides from Galium species on c-18 reversed-phase high performance liquid chromatography. J Liq Chrom Rel Technol, 23(5), 741-753 doi:10.1081/jlc-100101486
Galium album Mill. aerial parts -
No reference
Galium aparine L. aerial parts -
Deliorman, D., Calis, I., Ergun, F. (2001). Iridoids from Galium aparine. Pharmaceutical Biol, 39(3), 234-235 doi:10.1076/phbi.39.3.234.5928