139726-36-6 (远志糖苷B,Tenuifoliside B)

CAS号:
139726-36-6
中文名称:
远志糖苷B
英文名称:
Tenuifoliside B
分子式:
C30H36O17
分子量:
668.5967
简介:
Tenuifoliside B 是从Polygalae Radix 中分离出来的一种成分,能够抑制氰化钾 (KCN) 引起的缺氧和东莨菪碱引起的记忆障碍。Tenuifoliside B 具有潜在的认知改善和脑保护作用。Tenuifoliside B 有成为 AD 先导化合物的潜力。
植物源:

远志糖苷B(139726-36-6)名称与标识符

名称

中文别名:
远志蔗糖酯B;远志糖苷B;细叶远志苷B;细叶远志甙 B;细叶远志苷B;远志糖苷B(分析标准品);
英文别名:
a-D-Glucopyranoside,3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl,6-(4-hydroxybenzoate);Tenuifoliside B;a-D-Glucopyranoside,3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl,6-(4-hydroxybenzoate;a-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl,6-(4-hydroxybenzoate) (9CI);a-D-Glucopyranoside,3-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl,6-(4-hydroxybenzoate), (E)-;3-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl alpha-D-glucopyranoside 6-(4-hydroxybenzoate);F38VD25Q1W;(-)-Tenuifoliside B;alpha-D-Glucopyranoside, 3-O-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 6-(4-hydroxybenzoate);alpha-D-Glucopyranoside, 3-O-(3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 6-(4-hydroxybenzoate), (E)-;alpha-D-Glucopyranoside, 3-O-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-fructofuranosyl, 6-(4-hydroxybenzoa;HY-N4268;D84995;MS-31045;.ALPHA.-D-GLUCOPYRANOSIDE, 3-O-((2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)-.BETA.-D-FRUCTOFURANOSYL, 6-(4-HYDROXYBENZOATE);UNII-F38VD25Q1W;AKOS037515198;((2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((2S,3S,4R,5R)-4-hydroxy-3-(((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl 4-hydroxybenzoate;CS-0032592;[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate;.ALPHA.-D-GLUCOPYRANOSIDE, 3-O-(3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)-.BETA.-D-FRUCTOFURANOSYL, 6-(4-HYDROXYBENZOATE), (E)-;.ALPHA.-D-GLUCOPYRANOSIDE, 3-O-((2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-FRUCTOFURANOSYL, 6-(4-HYDROXYBENZOATE);139726-36-6;Q27277574;alpha-D-Glucopyranoside, 3-O-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-fructofuranosyl, 6-(4-hydroxybenzoate);((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((2S,3S,4R,5R)-4-hydroxy-3-((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl)oxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxyoxan-2-yl)methyl 4-hydroxybenzoate;DA-78319;

标识符

InChIKey:
HBYKIOIUVMDUIK-GUJRDUPISA-N
Inchi:
1S/C30H36O17/c1-41-17-9-14(10-18(42-2)22(17)35)3-8-21(34)45-27-24(37)19(11-31)46-30(27,13-32)47-29-26(39)25(38)23(36)20(44-29)12-43-28(40)15-4-6-16(33)7-5-15/h3-10,19-20,23-27,29,31-33,35-39H,11-13H2,1-2H3/b8-3+/t19-,20-,23-,24-,25+,26-,27+,29-,30+/m1/s1
SMILES:
O1[C@]([H])(C([H])([H])O[H])[C@]([H])([C@@]([H])([C@]1(C([H])([H])O[H])O[C@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])OC(C2C([H])=C([H])C(=C([H])C=2[H])O[H])=O)O1)O[H])O[H])O[H])OC(/C(/[H])=C(\[H])/C1C([H])=C(C(=C(C=1[H])OC([H])([H])[H])O[H])OC([H])([H])[H])=O)O[H]

远志糖苷B(139726-36-6)物化性质

实验特性

  • 沸点 : 926.1±65.0 °C at 760 mmHg
  • 蒸气压 : 0.0±0.3 mmHg at 25°C
  • 闪点 : 296.8±27.8 °C
  • 溶解度 : 几乎不溶 (0.074 g/L) (25 ºC),
  • 颜色与性状 : Powder
  • 密度 : 1.61±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 668.19524968 g/mol
  • 氢键供体数量 : 8
  • 氢键受体数量 : 17
  • 可旋转化学键数量 : 14
  • 同位素质量 : 668.19524968 g/mol
  • 重原子数量 : 47
  • 复杂度 : 1040
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 不确定原子立构中心数量 : 0
  • 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) : -0.9
  • 拓扑分子极性表面积 : 261
  • 分子量 : 668.6