Secondary Metabolites Search

ANAGALLISIN E

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Structure

2D structure of ANAGALLISIN E
2D structure
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3D model

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

Names and identifiers

Name

ANAGALLISIN E

IUPAC name

(2R,3S,4R,5R,6S)-2-(((2S,3R,4S,5R)-4-hydroxy-2-(((4R,6aR,6bS,8R,14bR)-8-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

SMILES

C1(CCC29C(C1)C3([C@@](C[C@H]2O)([C@]4(C(CC3)[C@@]5(C(CC4)[C@@](C(CC5)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)O)O[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)CO)O)O)O)(CO)C)C)C)C)OC9)(C)C

General information

Molecular formula

C47H78O18

Molecular weight

931.12 g/mol

Monoisotopic mass

930.5188 Da

Classification

Pathway:
Terpenoids
Superclass:
Triterpenoids
Class:
Oleanane triterpenoids
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Lysimachia arvensis (L.) U.Manns & Anderb. aerial parts -
Mahato, S.B., Sahu, N.P., Roy, S.K., Sen, S. (1991). Structure elucidation of four new triterpenoid oligoglycosides from Anagallis arvensis. Tetrahedron, 47(28), 5215-5230 doi:10.1016/s0040-4020(01)87133-7