SAPONAROSIDE

Structure

2D structure of SAPONAROSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 12315305

Names and identifiers

Name

SAPONAROSIDE

IUPAC name

(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid

SMILES

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O

General information

Molecular formula

C35H54O9

Molecular weight

618.81 g/mol

Monoisotopic mass

618.3768 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Saponaria officinalis L. root -
Bukharov, V.G., Shcherbak, S.P. (1969). Triterpene glycosides from Saponaria officinalis. Chem Nat Comp, 5, 324-326 doi:10.1007/bf00595069
Saponaria officinalis L. root -
Kondratenko, E.S., Putieva, Z.M., Abubakirov, N.K. (1981). Triterpene glycosides of plants of the family Caryophyllaceae. Chem Nat Comp, 17(4), 303-317 doi:10.1007/bf01185255