Name: Polyphyllin II
Rating: 5 (10 reviews)

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HIT ID:HIT212657870
Cas No:76296-72-5
常用名:Polyphyllin II
别名:重楼皂苷 II, Chonglou Saponin II
IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4R,5R,6R)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-eneoxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4R,5R,6R)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-eneoxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
InChI key:AWKXNOOUWFJCMU-WMRBLUSKSA-N

分子式:C44H70O16
分子量:855.028
氢键供体数 (HBD):8
氢键受体数 (HBA):16
LogP:1.2920434
SMILES:C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)O[C@]11CC[C@@H](C)CO1 |t:8|
SMILES:C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)O[C@]11CC[C@@H](C)CO1 |t:8|

Polyphyllin II (Chonglou Saponin II) 是重楼中重要的一种皂苷，具有止血、祛痰、抑菌、抗细胞毒和抗孕杀精作用。它通过 caspases 激活和细胞周期停滞诱导细胞凋亡。

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