CATALPOL-6-O-ALPHA-L-RHAMNOSIDE

Structure

2D structure of CATALPOL-6-O-ALPHA-L-RHAMNOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10720419

Names and identifiers

Name

CATALPOL-6-O-ALPHA-L-RHAMNOSIDE

IUPAC name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-6-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]3[C@@H]2C=CO[C@H]([C@@H]2[C@@]4([C@H]3O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O

General information

Molecular formula

C21H32O14

Molecular weight

508.47 g/mol

Monoisotopic mass

508.1792 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Scrophularia nodosa L. - -
Weinges, K., Vondereltz, H. (1978). Natural products from medicinal plants. xxiii. iridoid glycosides from Scrophularia nodosa. Justus Liebigs Ann Chem, 1968