(1βH,3βH,5βH,7αH)-4α,10α-dimethyl-7β-isopropyl-1α,3α,4β-trihydroxy-decahydronaphthalene-11-D-β-glucopyranoside

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (1βH,3βH,5βH,7αH)-4α,10α-dimethyl-7β-isopropyl-1α,3α,4β-trihydroxy-decahydronaphthalene-11-D-β-glucopyranoside
• 化学式: C₂₁H₃₈O₉
• 分子量: 434.527
• InChiKey: VEQUTAOVMNTCLL-IIKXHMLLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.12
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  160.07
• 氢给体数：
  7.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (1βH,3βH,5βH,7αH)-4α,10α-dimethyl-7β-isopropyl-1α,3α,4β-trihydroxy-decahydronaphthalene-11-D-β-glucopyranoside 在 alpha-L-rhamnosidase 作用下， 以 aq. acetate buffer 为溶剂， 反应 36.0h， 生成 葡萄糖
  参考文献：
  名称：

  Two new eudesmane sesquiterpenoids from Daucus carota L.

  摘要：

  Two new eudesmane sesquiterpenoids were isolated from the fruits of Daucus carota L. The structures were established based on the interpretation of high-resolution MS and 1D- and 2D-NMR data, the absolute configuration of compound 1 was determined by single-crystal X-ray diffraction. The new compounds were elucidated as (1 beta H, 3 beta H, 5 beta H, 7 alpha H)-4 alpha, 10 alpha-dimethyl-7 beta-isopropyl-1 alpha, 3 alpha, 4 beta, 11-tetrahydroxy decahydronaphthalene (1) and (1 beta H, 3 beta H, 5 beta H, 7 alpha H)-4 alpha, 10 alpha-dimethyl-7 beta-isopropyl-1 alpha, 3 alpha, 4 beta-trihydroxy decahydronaphthalene-11-O-beta-D-glucopyranoside (2). The compound 1 showed significant antioxidant activity. (C) 2015 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.phytol.2015.08.016