4,6-decadiyne-1-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside | 1227937-35-0

• 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: 4,6-decadiyne-1-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside
• 英文别名: (2R,3R,4S,5S,6R)-2-deca-4,6-diynoxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
• CAS: 1227937-35-0
• 化学式: C₂₁H₃₂O₁₀
• 分子量: 444.479
• InChiKey: BOFOQQHNACWIOH-RHAOSNMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  158
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4,6-decadiyne-1-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside 在 盐酸 、 水 作用下， 反应 12.0h， 生成 D-葡萄糖 、 D-apiose
  参考文献：
  名称：

  Chemical constituents from Saussurea cordifolia

  摘要：

  Thirty-six naturally occurring compounds, including four C-10-acetylenic glycosides and a lignan, were isolated from the whole plants of Saussurea cordifolia. Their structures were elucidated by means of spectroscopic and chemical methods to be 4,6-decadiyne-1-O-beta-D-apiofuranosyl-(1 -> 6)-beta-D-glucopyranoside (1), 4,6-decadiyne-1-O-alpha-L-rhamnopyranosyl-(1 -> 6)-beta-D-glucopyranoside (2), (8E)-decaene-4, 6-diyn-1-O-alpha-L-rhamnopyranosyl-(1 -> 6)-beta-D-glucopyranoside (3), (8Z)-decaene-4,6-diyn-1-O-beta-D-apiofuranosyl-(1 -> 6)-beta-D-glucopyranoside (4), and (2R, 3S, 4S)-4-(4-hydroxy-3-methoxybenzy1)-2-(5-hydroxy-3-methoxypheny1)-3-(hydroxymethyl)-tetrahydrofuran-3-ol (5). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2009.12.016

文献信息

• Chemical constituents from Saussurea cordifolia
  作者：Xu-Wen Li、Zi-Tao Guo、Yun Zhao、Zheng Zhao、Jin-Feng Hu

  DOI：10.1016/j.phytochem.2009.12.016

  日期：2010.4

  Thirty-six naturally occurring compounds, including four C-10-acetylenic glycosides and a lignan, were isolated from the whole plants of Saussurea cordifolia. Their structures were elucidated by means of spectroscopic and chemical methods to be 4,6-decadiyne-1-O-beta-D-apiofuranosyl-(1 -> 6)-beta-D-glucopyranoside (1), 4,6-decadiyne-1-O-alpha-L-rhamnopyranosyl-(1 -> 6)-beta-D-glucopyranoside (2), (8E)-decaene-4, 6-diyn-1-O-alpha-L-rhamnopyranosyl-(1 -> 6)-beta-D-glucopyranoside (3), (8Z)-decaene-4,6-diyn-1-O-beta-D-apiofuranosyl-(1 -> 6)-beta-D-glucopyranoside (4), and (2R, 3S, 4S)-4-(4-hydroxy-3-methoxybenzy1)-2-(5-hydroxy-3-methoxypheny1)-3-(hydroxymethyl)-tetrahydrofuran-3-ol (5). (C) 2010 Elsevier Ltd. All rights reserved.