KICKXIN

Structure

2D structure of KICKXIN
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

KICKXIN

IUPAC name

(1aR,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-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 (1S,7S)-7-hydroxy-7-methyl-1-(((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

SMILES

C1(=CO[C@H](C2C1CC[C@]2(C)O)C[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C(=O)O[C@H]4[C@]7(C([C@@]5([C@H]4O5)C)[C@H](O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)OC=C7)O

General information

Molecular formula

C32H46O18

Molecular weight

718.70 g/mol

Monoisotopic mass

718.2684 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Kickxia spuria (L.) Dumort. subsp. spuria aerial parts -
No reference