Name: Paeoniflorin
Rating: 5 (10 reviews)

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HIT ID:HIT211998186
Cas No:23180-57-6
常用名:Paeoniflorin
别名:芍药苷, Peoniflorin
IUPAC:[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-2-yl]methyl benzoate
IUPAC:[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-2-yl]methyl benzoate
InChI key:YKRGDOXKVOZESV-WRJNSLSBSA-N

分子式:C23H28O11
分子量:480.466
氢键供体数 (HBD):5
氢键受体数 (HBA):10
LogP:-0.38654998
SMILES:[H][C@@]12C[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)c1ccccc1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1 |TLB:17:16:2:33.30.32,2:3:27.35:1.30.32,2:1:3:27.35,2:3:1:27.29,4:3:1:27.29,29:30:3:27.35,34:33:1:27.29,THB:27:16:2:33.30.32,2:1:27.29:3.33.32,4:3:27.35:1.30.32,35:27:1:3.33.32,35:33:1:27.29,29:27:3:1.30.32,31:30:3:27.35|
SMILES:[H][C@@]12C[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)c1ccccc1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1 |TLB:17:16:2:33.30.32,2:3:27.35:1.30.32,2:1:3:27.35,2:3:1:27.29,4:3:1:27.29,29:30:3:27.35,34:33:1:27.29,THB:27:16:2:33.30.32,2:1:27.29:3.33.32,4:3:27.35:1.30.32,35:27:1:3.33.32,35:33:1:27.29,29:27:3:1.30.32,31:30:3:27.35|

Paeoniflorin (Standard) 是 Paeoniflorin 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Paeoniflorin (Peoniflorin) 是从芍药根中提取的一种蒎烷单萜糖苷，具有抗癌作用、抗氧化应激、抗血小板聚集、血管扩张、降低血液粘度和抗炎活性等多种生物活性。它是一种热休克蛋白诱导剂，通过自噬途径保护 PC12 细胞免受 MPP+和酸性损伤。

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