HYPOCHOEROSIDE A

Structure

2D structure of HYPOCHOEROSIDE A
2D structure
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3D model

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

Names and identifiers

Name

HYPOCHOEROSIDE A

IUPAC name

(3S,3aR,4S,6Z,9S,10E,11aR)-9-hydroxy-3,6,10-trimethyl-4-(((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one

SMILES

CC1[C@H]2[C@H](OC1=O)C=C(C)[C@@H](O)CC=C(C)C[C@@H]2O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O

General information

Molecular formula

C21H32O9

Molecular weight

428.48 g/mol

Monoisotopic mass

428.2046 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Hypochaeris radicata L. - -
Sesquiterpenoids as chemosystematic markers in the subtribe Hypochaeridinae (Lactuceae, Asteraceae) doi:10.1016/j.bse.2005.08.001