Name: Cyclocephaloside II
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584157
Cas No:215776-78-6
常用名:Cyclocephaloside II
别名:环黄芪苷 II
IUPAC:(3R,4R,5R,6S)-4,5-dihydroxy-6-{[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}oxan-3-yl acetate
IUPAC:(3R,4R,5R,6S)-4,5-dihydroxy-6-{[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}oxan-3-yl acetate
InChI key:XXPFEGKNCCUFCX-OQQOUECZSA-N

分子式:C43H70O15
分子量:827.018
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1([C@@H](O)C[C@@]2(C)[C@]3([H])C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](OC(C)=O)[C@H](O)[C@H]1O)C4(C)C)[C@@]1(C)CCC(O1)C(C)(C)O
SMILES:[H][C@@]1([C@@H](O)C[C@@]2(C)[C@]3([H])C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](OC(C)=O)[C@H](O)[C@H]1O)C4(C)C)[C@@]1(C)CCC(O1)C(C)(C)O

Cyclocephaloside II（环黄芪苷 II)是一种从黄芪（Astragalus brachypterus）和小头黄芪（Astragalus microcephalus）根部提取的天然产物,属于环烷型三萜皂苷类化合物，具有潜在的生物活性。黄芪皂苷具有改善心肌功能的作用。

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