化工网/ CAS号查询/ 苦艾素A3 | 157408-08-7

苦艾素A3 | 157408-08-7

苦艾素A3结构式图片|157408-08-7结构式图片
中文名称:苦艾素A3
英文名称:Bacoside A3
CAS No.:157408-08-7 分子式:C47H76O18 分子量:929.0956
植物源: 假马齿苋  
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:苦艾素A3结构式
价格行情:苦艾素A3价格
国内供应商
苦艾素A3的其他展现形式
  • 相关化合物
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简介

苦艾素A3 是一种三萜皂苷,是 Bacopa monnieri 的主要活性成分之一。苦艾素A3  具有神经保护活性。

植物源:假马齿苋

名称和标识符
Inchi 1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,43-,44+,45-,46-,47-/m0/s1
InChIKey CDEVGTJBRPBOPH-INTDMYAHSA-N
SMILES O1C([H])([H])[C@@]23C([H])([H])[C@@]41[C@]([H])([C@](C([H])([H])[H])(C([H])([H])[C@]([H])(/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])O4)O[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]1([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@@]31C([H])([H])[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O[H])O1)O[H])O[H]
别名信息
- 中文别名 -
假马齿苋素 A3 白花猪母菜甙 A3 假马齿苋皂素A3 苦艾素 A3 苦艾素A3(P)
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- 英文别名 -
Bacoside A3 (3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-α-L-arabinofuranosyl-(1-2)-O-(β-D-glucopyranosyl-(1-3))-β-D-Glucopyranoside BACOSIDE A3(P) b-D-Glucopyranoside, (3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-ylO-a-L-arabino... 3-β-((O-β-D-Glucopyranosyl(1-3)-O-(α-L-arabinofuranosyl(1-2))-O-β-D-glucopyranosyl)oxy)jujubogenin b-D-Glucopyranoside, (3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-ylO-a-L-arabinofuranosyl-(1&reg β-D-Glucopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-yl O-α-L-arabinofuranosyl-(1-2)-O-(β-D-glucopyranosyl-(1-3))- (3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside Jujubogenin 3-O-[α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside] BACOSIDE A3(SH) Bacoside A3 (15 mg) 1S862DJ73F Bacoside A3, analytical standard 3-beta-((O-beta-D-Glucopyranosyl(1-3)-O-(alpha-L-arabinofuranosyl(1-2))-O-beta-D-glucopyranosyl)oxy)jujubogenin Q27252831 Bacoside A3, United States Pharmacopeia (USP) Reference Standard beta-D-Gluco
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物化性质
 计算特性
精确分子量 928.50300
同位素质量 928.50316557 g/mol
同位素原子数量 0
氢键供体数量 10
氢键受体数量 18
重原子数量 65
可旋转化学键数量 10
复杂度 1770
共价键单元数量 1
确定原子立构中心数量 25
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
疏水参数计算参考值(XlogP) 2.1
拓扑分子极性表面积 276
分子量 929.1
 实验特性
密度 1.43
PSA 276.14000
LogP -0.03330
安全信息 纠错
化合物详情(旧版)
 
扩展阅读
假马齿苋素 A3 http://www.biopurify.cn/p-2322.html
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