GRACILLIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 159861
Name
GRACILLIN
IUPAC name
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-(((4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1
Molecular formula
C45H72O17
Molecular weight
885.05 g/mol
Monoisotopic mass
884.4770 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Dioscorea communis (L.) Caddick & Wilkin | rhizome | - |
Aquino, R., Behar, I., Desimone, F., Pizza, C. (1984). Steroidal glycosides of Tamus communis. Boll Soc Ital Biol Sper, 60(12), 2229-2235
|