Name: Neoagarohexaitol
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219586179
Cas No:68289-59-8
常用名:Neoagarohexaitol
别名:琼胶六糖醇
IUPAC:(2S,3R,4S,5R,6R)-2-{[(1S,3S,4S,5S,8R)-3-{[(2S,3R,4S,5S,6R)-2-{[(1S,3S,4S,5S,8R)-3-{[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2S,3R,4S,5R,6R)-2-{[(1S,3S,4S,5S,8R)-3-{[(2S,3R,4S,5S,6R)-2-{[(1S,3S,4S,5S,8R)-3-{[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:MDDTZRQNBOQDHS-NRTBGCROSA-N

分子式:C36H58O28
分子量:938.832
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]3CO[C@H]([C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H]5CO[C@H]([C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@H]3O)[C@@H]2O)[C@H]1O)[C@H](O)CO
SMILES:[H][C@]1(OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]3CO[C@H]([C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H]5CO[C@H]([C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@H]3O)[C@@H]2O)[C@H]1O)[C@H](O)CO

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