NUTANOSIDE

Structure

2D structure of NUTANOSIDE
2D structure
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3D model

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

Names and identifiers

Name

NUTANOSIDE

IUPAC name

(2S,3S,4S,5R)-4-(((3R,4R,5R,6R)-3,4-dihydroxy-5-(((3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-((((2S,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(((3S,4S,6aR,6bS,14bR)-8a-((((2R,3S,4R,5R,6R)-4-(((2R,3R,4R,5R,6S)-3-(((3S,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-(((3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-methyl-5-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-2-carboxylic acid

SMILES

C1[C@]6(C([C@]([C@H](C1)OC2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)OC4[C@@H]([C@H]([C@H]([C@@H](CO[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)O4)OC5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)(C)C=O)CC[C@@]7(C6CC=C8[C@]7(CCC9(C8CC(CC9)(C)C)C(=O)O[C@@H]%10[C@H]([C@H]([C@@H]([C@@H](C)O%10)OC%11[C@@H]([C@H]([C@@H]([C@@H](CO)O%11)O)O)O)O[C@@H]%12[C@@H]([C@@H]([C@H]([C@H](CO)O%12)O)O)OC%13[C@H]([C@@H]([C@@H]([C@H](C)O%13)OC%14[C@H]([C@@H]([C@H]([C@H](CO)O%14)O)O)O)O)O)O)C)C)C

General information

Molecular formula

C82H130O46

Molecular weight

1,851.90 g/mol

Monoisotopic mass

1,850.7833 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Silene nutans L. subsp. nutans root -
Kondratenko, E.S., Putieva, Z.M., Abubakirov, N.K. (1981). Triterpene glycosides of plants of the family Caryophyllaceae. Chem Nat Comp, 17(4), 303-317 doi:10.1007/bf01185255