远志糖苷C | 139726-37-7

远志糖苷C
中文名称:远志糖苷C
英文名称:Tenuifoliside C
CAS No.:139726-37-7
分子式:C35H44O19 分子量:768.7125
简介
Tenuifoliside C 可从野生的 polygala tenuifolia 中分离得到, 能够抑制 CYP2E1 催化氯唑酮 6-羟基化反应。
名称和标识符
  • InChIKey:PMGMZCFZCYRJAG-BCLUNCODSA-N
  • Inchi:1S/C35H44O19/c1-45-19-10-17(11-20(46-2)27(19)40)6-8-25(38)50-15-24-28(41)30(43)31(44)34(51-24)54-35(16-37)33(29(42)23(14-36)53-35)52-26(39)9-7-18-12-21(47-3)32(49-5)22(13-18)48-4/h6-13,23-24,28-31,33-34,36-37,40-44H,14-16H2,1-5H3/b8-6+,9-7+/t23-,24+,28+,29-,30-,31+,33+,34+,35+/m0/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(/C(/[H])=C(\[H])/C2C([H])=C(C(=C(C=2[H])OC([H])([H])[H])O[H])OC([H])([H])[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])OC([H])([H])[H])OC([H])([H])[H])=O)O[H]
中文别名
  • 远志糖苷C
  • 细叶远志苷C
  • 远志蔗糖酯C
  • 细叶远志甙 C
英文别名
  • tenuifoliside C
  • 3-O-[(2E)-1-Oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-beta-D-fructofuranosyl alpha-D-glucopyranoside 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
  • [(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5
  • Tenuifoliside C
计算特性
  • 精确分子量:768.24800
  • 氢键供体数量:7
  • 氢键受体数量:19
  • 可旋转化学键数量:18
  • 同位素质量:768.24767917 g/mol
  • 重原子数量:54
  • 复杂度:1220
  • 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:2
  • 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):-0.2
  • 拓扑分子极性表面积:268
  • 分子量:768.7
实验特性
  • LogP:-1.11840
  • PSA:268.05000
  • 溶解度:几乎不溶 (0.034 g/L) (25 ºC),
  • 颜色与性状:Powder
  • 密度:1.51±0.1 g/cm3 (20 ºC 760 Torr),
相关文献
  • 1. Simultaneous determination and pharmacokinetic study of polygalaxanthone III, tenuifolin, tenuifoliside A and tenuifoliside C in rat plasma by LC-MS/MS after oral administration Longfei Lin,Xingbin Yin,Hongmei Lin,Xuechun Li,Sali Cao,Changhai Qu,Jian Ni Anal. Methods 2014 6 6424
  • 2. Kinetics and mechanism of 3,6′-disin apoylsucrose, tenuifoliside A, tenuifoliside B and tenuifoliside C degradation in aqueous solutions Boran Ni,Hongmei Lin,Xingbin Yin,Changhai Qu,Longfei Lin,Jian Ni Anal. Methods 2015 7 8882