COELOVIRIN D

Structure

2D structure of COELOVIRIN D
2D structure
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3D model

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

Names and identifiers

Name

COELOVIRIN D

IUPAC name

(2S,3R)-2-((S)-1-hydroxy-2-oxo-2-((4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)methoxy)ethyl)-3-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)pentanoic acid

SMILES

C1C(CCC(C1)COC(=O)[C@H]([C@](C(=O)O)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CC)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO

General information

Molecular formula

C27H46O17

Molecular weight

642.65 g/mol

Monoisotopic mass

642.2735 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Gymnadenia conopsea (L.) R.Br. tuber -
Zi, J., Li, S., Liu, M., Gan, M., Lin, S., Song, W., Zhang, Y., Fan, X., Yang, Y., Zhang, J., Shi, J., Di, D. (2008). Glycosidic constituents of the tubers of Gymnadenia conopsea J Nat Prod, 71(5), 799-805 doi:10.1021/np070670j