SCROPHULOSIDE A-1

Structure

Drag to rotate, scroll to zoom

3D model

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

Names and identifiers

Name

SCROPHULOSIDE A-1

IUPAC name

(1S,4aS,6S,7S,7aR)-6-(((E)-3-(4-methoxycyclohexyl)acryloyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

SMILES

C1=C([C@@H]2[C@@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@H](C2)OC(=O)/C=C/C1CCC(CC1)OC)C)C(=O)O

General information

Molecular formula

C₂₆H₃₈O₁₂

Molecular weight

542.58 g/mol

Monoisotopic mass

542.2363 Da

Classification

Pathway:

Terpenoids

Superclass:

Monoterpenoids

Class:

Iridoids monoterpenoids

Glycoside:

Yes

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

Plants with the compound

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

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

SCROPHULOSIDE A-1

On this page

Structure

Names and identifiers

Name

IUPAC name

SMILES

General information

Molecular formula

Molecular weight

Monoisotopic mass

Classification

Plants with the compound