Name: Deoxynivalenol-3-β-D-glucoside
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847824
Cas No:131180-21-7
常用名:Deoxynivalenol-3-β-D-glucoside
别名:DON-3-β-D-glucoside, Deoxynivalenol 3-glucoside
别名:DON-3-β-D-glucoside, Deoxynivalenol 3-glucoside
IUPAC:(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-10'-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-one
IUPAC:(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-10'-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-one
InChI key:PUMXWMGECQIOGB-SMSDQXDJSA-N

分子式:C21H30O11
分子量:458.46
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]21CO1
SMILES:[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]21CO1

Deoxynivalenol-3-β-D-glucoside (DON-3-β-D-glucoside) 为脱氧雪腐镰刀菌烯醇的一种代谢产物，在实验条件下展示出相较于Deoxynivalenol的较低毒性。

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