Name: Bacopaside I
Rating: 5 (10 reviews)

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HIT ID:HIT212661421
Cas No:382148-47-2
常用名:Bacopaside I
别名:假马齿苋皂苷I
IUPAC:{[(2R,3S,4S,5R,6S)-6-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-{[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0^{1,14}.0^{2,11}.0^{5,10}.0^{15,20}]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid
IUPAC:{[(2R,3S,4S,5R,6S)-6-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-{[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0^{1,14}.0^{2,11}.0^{5,10}.0^{15,20}]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid
InChI key:SKFWOYHZBNAJGA-YAOMZRCFSA-N

分子式:C46H74O20S
分子量:979.14
氢键供体数 (HBD):9
氢键受体数 (HBA):19
LogP:-1.1057752
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SMILES:[H][C@@]1([#8]-[#6@@H]2-[#6@@H](-[#8][C@]3([H])[#8]-[#6@H](-[#6]-[#8]S([#8])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]3-[#8])-[#6@@H](-[#8])-[#6]-[#8][C@@]2([H])[#8]-[#6@H]2-[#6]-[#6][C@@]3([#6])[C@@]([H])([#6]-[#6][C@]4([#6])[C@]3([H])[#6]-[#6][C@]3([H])[C@]5([H])[C@]6([#6][C@@]43[#6]-[#8]6)[#8]-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])[C@]5([#6])[#8])C2([#6])[#6])[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H]1-[#8]

Bacopaside I (Standard) 是 Bacopaside I 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。Bacopaside I 是一种皂苷，分离自 Bacopa monniera 中，具有抗氧化活性和清除自由基的功能，有抗抑郁作用。

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