Secondary Metabolites Search

BELLISOSIDE D

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Structure

2D structure of BELLISOSIDE D
2D structure
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3D model

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

Names and identifiers

Name

BELLISOSIDE D

IUPAC name

5-butoxy-3-((5-((3,5-dihydroxy-4-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl 5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-((2,3,4-trihydroxy-5-methylcyclohexyl)oxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate

SMILES

C1C3(C(C(C(C1O)OC2C(C(C(C(C2)C)O)O)O)(CO)C)CCC4(C3CC=C5C4(CC(C6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(C(C)O7)OCCCC)O)OC8C(C(C(C(C)O8)OC9C(C(C(CO9)O)OC%10C(C(C(C(C)O%10)O)O)O)O)O)O)O)C)C)C

General information

Molecular formula

C64H106O25

Molecular weight

1,275.53 g/mol

Monoisotopic mass

1,274.7023 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
Bellis perennis L. root -
Li, W., Asada, Y., Koike, K., Nikaido, T., Furuya, T., Yoshikawa, T. (2005). Bellisosides a-f, six novel acylated triterpenoid saponins from Bellis perennis (Compositae). Tetrahedron, 61(11), 2921-2929 doi:10.1016/j.tet.2005.01.026