(7R,8R)-9'-[β-D-apiofuranosyl-(1->6)-β-D-glucopyranosyloxy]-3,3'-dimethoxy-8,4'-oxyneolign-7'-ene-4,7,9-triol

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素苷
• 英文名称: (7R,8R)-9'-[β-D-apiofuranosyl-(1->6)-β-D-glucopyranosyloxy]-3,3'-dimethoxy-8,4'-oxyneolign-7'-ene-4,7,9-triol
• 英文别名: ligusinenoside C
• 化学式: C₃₁H₄₂O₁₆
• 分子量: 670.665
• InChiKey: ZGMGJEJKMYRMBD-JYHJCNNZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.82
• 重原子数：
  47.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  246.68
• 氢给体数：
  9.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  (7R,8R)-9'-[β-D-apiofuranosyl-(1->6)-β-D-glucopyranosyloxy]-3,3'-dimethoxy-8,4'-oxyneolign-7'-ene-4,7,9-triol 在 hesperidinase H₈₁₃₇ 、 吡啶 、 L-半胱氨酸甲酯盐酸盐 、 N,O-双(三甲基硅烷基)三氟乙酰胺 作用下， 反应 17.0h， 生成 可得然胶 、 3-(C-hydroxymethyl)-β-D-erythrofuranose 、 (7′E,7S,8S)-9′-hydroxy-7′-propen-3′-methoxyphenyl-4-hydroxy-3-methoxyphenyl-7,9-propanediol
  参考文献：
  名称：

  A novel 8,4′-oxyneolignan diglycoside from Ligusticum sinensis

  摘要：

  A novel 8,4 '-oxyneolignan diglycoside, named ligusinenoside D (1), was isolated from the rhizomes of Ligusticum sinensis, together with five known analogues 2-6. The absolute configurations of 1 and 2 were elucidated by means of enzymatic hydrolysis and spectroscopic data. (C) 2011 Jian Ping Ma. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.07.018

文献信息

• A novel 8,4′-oxyneolignan diglycoside from Ligusticum sinensis
  作者：Jian Ping Ma、Chang Heng Tan、Da Yuan Zhu、Ling Jin

  DOI：10.1016/j.cclet.2011.07.018

  日期：2011.12

  A novel 8,4 '-oxyneolignan diglycoside, named ligusinenoside D (1), was isolated from the rhizomes of Ligusticum sinensis, together with five known analogues 2-6. The absolute configurations of 1 and 2 were elucidated by means of enzymatic hydrolysis and spectroscopic data. (C) 2011 Jian Ping Ma. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.