HYPOCHOEROSIDE D

Structure

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

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

Names and identifiers

Name

HYPOCHOEROSIDE D

IUPAC name

(3aS,4S,9aS,9bS)-4-((E)-3-(4-hydroxyphenyl)acryloyl)-6-methyl-3-methylene-9-((((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

SMILES

C1(=C4[C@@H]([C@@H]3[C@@H]([C@H](C1)C(C=CC2=CC=C(C=C2)O)=O)C(C(O3)=O)=C)C(=CC4=O)CO[C@@H]5[C@H]([C@@H]([C@H]([C@H](CO)O5)O)O)O)C

General information

Molecular formula

C30H32O11

Molecular weight

568.58 g/mol

Monoisotopic mass

568.1945 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