SCROPHULOSIDE A-4
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 163011192
Name
SCROPHULOSIDE A-4
Also reported as
SCROPHULOSIDE A-5
IUPAC name
(2S,3S,4R,5R,6S)-5-acetoxy-6-(((1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl)oxy)-2-methyltetrahydro-2H-pyran-3,4-diyl (2E,2'E)-bis(3-(4-methoxyphenyl)acrylate)
SMILES
[C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@H]2[C@H]3[C@@H](C=CO2)[C@@H]([C@H]4[C@]3(CO)O4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC(C=CC6=CC=C(C=C6)OC)=O)OC(C=CC7=CC=C(C=C7)OC)=O)OC(C)=O)O
Molecular formula
C43H50O19
Molecular weight
870.85 g/mol
Monoisotopic mass
870.2946 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Scrophularia nodosa L. | aerial parts | - |
Miyase, T., Mimatsu, A. (1999). Acylated iridoid and phenylethanoid glyucosides from the aerial parts of Scrophularia nodosa. J Nat Prod, 62(8), 1079-10184 doi:10.1021/np9805746
|