OKANIN-4'-O-(6''-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)

Structure

2D structure of OKANIN-4'-O-(6''-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)
2D structure
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3D model

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

Names and identifiers

Name

OKANIN-4'-O-(6''-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)

IUPAC name

((2S,3R,4R,5S,6R)-6-(4-((E)-3-(3,4-dihydroxyphenyl)acryloyl)-2,3-dihydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate

SMILES

C1=CC(=C(C=C1\C(=C(\C(=O)C2=C(C(=C(C=C2)O[C@@H]4[C@H]([C@@H]([C@H]([C@H](COC(\C(=C(\C3=CC=C(C=C3)O)[H])[H])=O)O4)O)O)O)O)O)[H])[H])O)O

General information

Molecular formula

C30H28O13

Molecular weight

596.54 g/mol

Monoisotopic mass

596.1530 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Bidens frondosa L. leaf -
Karikome, H., Ogawa, K., Sashida, Y. (1992). New acylated glucosides of chalcone from the leaves of Bidens frondosa. Chem Pharm Bull, 40(3), 689-691 doi:10.1248/cpb.40.689