(2S,3R,4S,5R)-2-[(2S,3R,4R,5R,6S)-4-Hydroxy-3-methoxy-6-methyl-5-((2S,3R,4S,5R)-3,4,5-trimethoxy-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-3,4-dimethoxy-hexane-1,5-diol | 80681-37-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3R,4S,5R)-2-[(2S,3R,4R,5R,6S)-4-Hydroxy-3-methoxy-6-methyl-5-((2S,3R,4S,5R)-3,4,5-trimethoxy-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-3,4-dimethoxy-hexane-1,5-diol
• CAS: 80681-37-4
• 化学式: C₂₃H₄₄O₁₃
• 分子量: 528.595
• InChiKey: FRJMYDXLUZKHSD-XMKSNKOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.32
• 重原子数：
  36.0
• 可旋转键数：
  14.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  152.99
• 氢给体数：
  3.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  (2S,3R,4S,5R)-2-[(2S,3R,4R,5R,6S)-4-Hydroxy-3-methoxy-6-methyl-5-((2S,3R,4S,5R)-3,4,5-trimethoxy-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-3,4-dimethoxy-hexane-1,5-diol 、 碘甲烷 在 sodium hydride 、 二甲基亚砜 作用下， 生成 (2S,3R,4R,5S,6S)-3,4-Dimethoxy-6-methyl-2-((1S,2R,3S,4R)-2,3,4-trimethoxy-1-methoxymethyl-pentyloxy)-5-((2S,3R,4S,5R)-3,4,5-trimethoxy-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran
  参考文献：
  名称：

  Studies on the constituents of the root of Polygala tenuifolia Willdenow. I. Isolation of saponins and the structures of onjisaponins G and F.

  摘要：

  从细叶蓍根中分离出了七种三萜皂苷，分别为onjisaponins A、B、C、D、E、F和G。在这些皂苷中，基于光谱和化学证据，确定了onjisaponins G (1)和F (2)的结构，分别为presenegenin-(3)-β-D-glucopyranosido-(28)-2-O-{[β-D-apio-D-furanosyl (1→3)]-[β-D-xylopyranosyl (1→4)]-α-L-rhamnopyranosyl}-4-O-(3', 4', 5'-trimethoxycinnamoyl)-β-D-fucopyranoside和presenegenin-(3)-β-D-glucopyranosido-(28)-2-O-{[β-D-apio-D-furanosyl-(1→3)] [α-L-arabinopyranosyl (1→3)-β-D-xylopyranosyl (1→4)]-α-L-rhamnopyranosyl}-4-O-(3', 4', 5'-trimethoxycinnamoyl)-β-D-fucopyranoside。

  DOI：

  10.1248/cpb.29.2431
• 作为产物：
  描述：

  甲醇 、 (2S,3R,4S,5R)-2-[(2S,3R,4R,5S,6S)-4-((2S,3R,4R)-3,4-Dimethoxy-4-methoxymethyl-tetrahydro-furan-2-yloxy)-3-methoxy-6-methyl-5-((2S,3R,4S,5R)-3,4,5-trimethoxy-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-3,4-dimethoxy-hexane-1,5-diol 在 盐酸 作用下， 反应 1.0h， 以63 mg的产率得到(2S,3R,4S,5R)-2-[(2S,3R,4R,5R,6S)-4-Hydroxy-3-methoxy-6-methyl-5-((2S,3R,4S,5R)-3,4,5-trimethoxy-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-3,4-dimethoxy-hexane-1,5-diol
  参考文献：
  名称：

  Studies on the constituents of the root of Polygala tenuifolia Willdenow. I. Isolation of saponins and the structures of onjisaponins G and F.

  摘要：

  从细叶蓍根中分离出了七种三萜皂苷，分别为onjisaponins A、B、C、D、E、F和G。在这些皂苷中，基于光谱和化学证据，确定了onjisaponins G (1)和F (2)的结构，分别为presenegenin-(3)-β-D-glucopyranosido-(28)-2-O-{[β-D-apio-D-furanosyl (1→3)]-[β-D-xylopyranosyl (1→4)]-α-L-rhamnopyranosyl}-4-O-(3', 4', 5'-trimethoxycinnamoyl)-β-D-fucopyranoside和presenegenin-(3)-β-D-glucopyranosido-(28)-2-O-{[β-D-apio-D-furanosyl-(1→3)] [α-L-arabinopyranosyl (1→3)-β-D-xylopyranosyl (1→4)]-α-L-rhamnopyranosyl}-4-O-(3', 4', 5'-trimethoxycinnamoyl)-β-D-fucopyranoside。

  DOI：

  10.1248/cpb.29.2431