methylscutelloside

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methylscutelloside
• 英文别名: (2S,3R,4S,5S,6R)-2-[[(1R,4R,5R,6S,7R,8S,9S)-4,5-dihydroxy-6-methoxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₁₆H₂₆O₁₁
• 分子量: 394.376
• InChiKey: PQSWEAAJVJWACO-AOXRJVLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  168
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  methylscutelloside 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 葡萄糖
  参考文献：
  名称：

  A new iridoid and effect on the rat aortic vascular smooth muscle cell proliferation of isolated compounds from Buddleja officinalis

  摘要：

  A new iridoid, named methylscutelloside (1) together with 19 known compounds belonging to the iridoids (2-4), monoterpenoids (5), flavonoids (6-8), triterpenoids (9-14), and phenylethanoids (15-20) were isolated from the flowers of Buddleja officinalis. Their chemical structures were elucidated on the basis of physicochemical properties, and by spectroscopic methods including 1D, 2D NMR, and MS. All isolated compounds were tested in vitro for their effects on the proliferation of rat aortic vascular smooth muscle cells (VSMCs). Among them, iridoids were the main active components and showed significant inhibitory effects on PDGF-BB-induced proliferation in rat aortic VSMCs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.078

文献信息

• A new iridoid and effect on the rat aortic vascular smooth muscle cell proliferation of isolated compounds from Buddleja officinalis
  作者：Bui Huu Tai、Nguyen Xuan Nhiem、Tran Hong Quang、Nguyen Thi Thanh Ngan、Nguyen Huu Tung、Yohan Kim、Jung-Jin Lee、Chang-Seon Myung、Nguyen Manh Cuong、Young Ho Kim

  DOI：10.1016/j.bmcl.2011.03.078

  日期：2011.6

  A new iridoid, named methylscutelloside (1) together with 19 known compounds belonging to the iridoids (2-4), monoterpenoids (5), flavonoids (6-8), triterpenoids (9-14), and phenylethanoids (15-20) were isolated from the flowers of Buddleja officinalis. Their chemical structures were elucidated on the basis of physicochemical properties, and by spectroscopic methods including 1D, 2D NMR, and MS. All isolated compounds were tested in vitro for their effects on the proliferation of rat aortic vascular smooth muscle cells (VSMCs). Among them, iridoids were the main active components and showed significant inhibitory effects on PDGF-BB-induced proliferation in rat aortic VSMCs. (C) 2011 Elsevier Ltd. All rights reserved.