SCROPHULOSIDE B-1
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Name
SCROPHULOSIDE B-1
Also reported as
SCROPHULOSIDE B-2
IUPAC name
(2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
SMILES
[C@H]2([C@H]([C@@H]([C@H]([C@H](OCCC1=CC=C(C(=C1)O)O)O2)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)OC(C=CC4=CC(=C(C=C4)O)OC)=O)CO[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O
Molecular formula
C35H46O19
Molecular weight
770.73 g/mol
Monoisotopic mass
770.2633 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
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
|