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管花苷A | 112516-05-9

管花苷A结构式图片|112516-05-9结构式图片
管花苷A
Tubuloside A
112516-05-9
C37H48O21
828.76
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:管花苷A结构式
管花苷AMSDS
21637830
管花苷A价格
简介
Tubuloside A 是一种具有抗氧化活性和保肝活性的苯乙醇苷。
名称和标识符
MDL MFCD28251989
InChIKey KZLDMAIXPXOZCX-YVMONPNESA-N
Inchi 1S/C37H48O21/c1-15-26(45)28(47)31(50)36(53-15)58-33-32(57-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-35-30(49)29(48)27(46)23(13-38)55-35)56-37(34(33)54-16(2)39)51-10-9-18-4-7-20(41)22(43)12-18/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3/b8-5-
SMILES O(C1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])[H])O1)O[H])O[H])O[H])C1([H])C([H])(C([H])(OC([H])([H])C([H])([H])C2C([H])=C([H])C(=C(C=2[H])O[H])O[H])OC([H])(C([H])([H])OC2([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])C1([H])OC(/C(/[H])=C(/[H])\C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O)OC(C([H])([H])[H])=O
别名信息
- 中文别名 -
  • 管花苷A
  • 管花苷A(标准品)
  • 管花苷A对照品
- 英文别名 -
  • Tubuloside A
  • b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-a-L-mannopyranosyl-(1&reg
  • 6)]-, 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
  • TUBULOSIDE A (REFERENCE GRADE)
  • Tubuloside-A
  • BCP10885
  • [5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyme
  • CID 127258928
  • [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyme
  • Tubuloside A,HPLC≥98%
  • b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-a-L-mannopyranosyl-(13)-O-[b-D-glucopyranosyl-(16)]-, 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
  • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→6)]-, 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
  • MFCD28251989
  • MFCD28251989
  • AKOS037514890
  • AKOS037514890
  • SCHEMBL4044477
  • SCHEMBL4044477
  • (2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • (2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • 112516-05-9
  • 112516-05-9
  • DTXSID501317887
  • FT-0775331
  • CHEBI:228915
物化性质
实验特性
LogP -2.62090
PSA 330.51000
沸点 1045.5±65.0 °C at 760 mmHg
熔点 No data available
闪点 317.7±27.8 °C
溶解度 微溶 (1.8 g/L) (25 ºC),
颜色与性状 Powder
酸度系数(pKa) 8.43±0.20(Predicted)
密度 1.62±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 828.26900
氢键供体数量 11
氢键受体数量 21
可旋转化学键数量 16
同位素质量 828.26880854 g/mol
重原子数量 58
复杂度 1340
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 15
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -1.5
拓扑分子极性表面积 331
分子量 828.8
相关文献
专业数据库参考
PubChemId 21637830
化合物详情(旧版)
 
扩展阅读
管花苷A http://www.biopurify.cn/p-3597.html
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