[(1R,2R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-9-hydroxy-4-[[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-[2-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]ethyl]-3,7-dioxabicyclo[4.2.1]nonan-5-yl] (E)-3-(3-hydroxy-4-methylphenyl)prop-2-enoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: [(1R,2R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-9-hydroxy-4-[[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-[2-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]ethyl]-3,7-dioxabicyclo[4.2.1]nonan-5-yl] (E)-3-(3-hydroxy-4-methylphenyl)prop-2-enoate
• 化学式: C₄₀H₅₄O₁₉
• 分子量: 838.8
• InChiKey: BJOKAFVFNKENSD-WICKDLEUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  59
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  304
• 氢给体数：
  11
• 氢受体数：
  19

文献信息

• WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES
  申请人：LIBRAGEN

  公开号：US20140088030A1

  公开（公告）日：2014-03-27

  The invention relates to the preparation of phenolics derivatives by enzymatic condensation of phenolics selected among pyrocatechol or its derivatives with the glucose moiety of sucrose. The production of said phenolics derivatives is achieved with a glucosyltransferase (EC 2.4.1.5). These O-α-glucosides of selected phenolics are new, have a solubility in water higher than that of their parent polyphenol and have useful applications in cosmetic and pharmaceutical compositions, such as antioxidative, antiviral, antibacterial, immune-stimulating, antiallergic, antihypertensive, antiischemic, antiarrythmic, antithrombotic, hypocholesterolemic, antilipoperoxidant, hepatoprotective, anti-inflammatory, anticarcinogenic, antimutagenic, antineoplastic, anti-thrombotic and vasodilatory formulations, or in any other field of application.
• US9828407B2
  申请人：——

  公开号：US9828407B2

  公开（公告）日：2017-11-28