2,3,5-Trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,5-Trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
• 化学式: C₁₄H₂₂O₈
• 分子量: 318.32
• InChiKey: ANAWXDDUSIXATR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Glycosylated triketide delta lactones
  申请人：Mathieu Benoit

  公开号：US20070111952A1

  公开（公告）日：2007-05-17

  The present invention relates to compounds of formula (1) and salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof. R 1 is a glycosyl moiety, hydroxyl-protected acetate derivatives thereof or amino derivatives thereof; R 2 , R 3 and R 4 are, each independently, selected from hydrogen, C 1-6 alkyl, C 2-20 alkenyl, C 6-20 arylalkyl, C 3-7 cycloalkyl, C 3-7 cycloalkylC 1-6 alkyl, C 6-20 aryl aralkyl, akylcarbonyloxy, arylcarbonyloxy, alkyloxy, alklylthio, alkylamino, alkyloxyalkyl, alkanoyl, alkylcarbonylalkyl, optionally substituted by one or more substituents independently selected from alkyl, aralkyl, aryl, cycloalkyl, alkyloxycarbonyl, carboxyl, aminocarbonyl, hydroxy, cyano, halogen or amino optionally mono- or disubstituted wherein the substituents are independently selected from alkyl, aryl, aralkyl, aryloxy, arylamino, aryloxyalkyl, arylaminoalkyl, aralkoxy, and alkoxy.