26-O-β-D-glucopyranosyl-3β,22ξ,26-trihydroxy-(25R)-5α-furostan-6-one 3-O-β-D-glucopyranosyl-(1<*>4)-O-<α-L-arabinopyranosyl-(1<*>6)>-β-D-glucopyranoside | 143222-29-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 26-O-β-D-glucopyranosyl-3β,22ξ,26-trihydroxy-(25R)-5α-furostan-6-one 3-O-β-D-glucopyranosyl-(1<*>4)-O-<α-L-arabinopyranosyl-(1<*>6)>-β-D-glucopyranoside
• 英文别名: 26-O-β-D-glucopyranosyl-3β,22ξ,26-trihydroxy-(25R)-5α-furostan-6-one 3-O-β-D-glucopyranosyl-(1[*]4)-O-[α-L-arabinopyranosyl-(1[*]6)]-β-D-glucopyranoside；(1R,2S,4S,7S,8R,9S,12S,13R,16S,18S)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-19-one
• CAS: 143222-29-1
• 化学式: C₅₀H₈₂O₂₄
• 分子量: 1067.19
• InChiKey: YTWIJBBFEGGAPU-VHHJCIHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  74
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  383
• 氢给体数：
  14
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  26-O-β-D-glucopyranosyl-3β,22ξ,26-trihydroxy-(25R)-5α-furostan-6-one 3-O-β-D-glucopyranosyl-(1<*>4)-O-<α-L-arabinopyranosyl-(1<*>6)>-β-D-glucopyranoside 在 盐酸 、 AcONa buffer 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 1.0h， 生成 3β,27-dihydroxy-(25S)-5α-spirostan-6-one
  参考文献：
  名称：

  来自绣线菊根茎的甾体皂苷

  摘要：

  从 Smilax sieboldii 的根茎中分离出六种新的甾体皂苷。它们的结构通过光谱分析和水解确定为 3β-羟基-(25R)-5 α-spirostan-6-one (laxogenin) 3-O-β-D-glupyranosyl-(1----4)- O-[α-L-阿拉伯吡喃糖基-(1- ---6)]-β-D-吡喃葡萄糖苷，laxogenin 3-O-α-L-阿拉伯吡喃糖基-(1----6)-β-D-吡喃葡萄糖苷, 3 β,27-二羟基-(25S)-5 α-spirostan-6-one 3-O-β-D-吡喃葡萄糖基-(1----4)-O-[α-L-阿拉伯吡喃糖基-(1 - ---6)]- β-D-吡喃葡萄糖苷, 26-O-β-D-吡喃葡萄糖基-3 beta,22 xi,26-trihydroxy-(25R)-5 alpha-furostan-6-one 3-O- α-L-阿拉伯吡喃糖

  DOI：

  10.1016/0031-9422(92)83296-b

文献信息

• Steroidal saponins from the rhizomes of Smilax sieboldii
  作者：Tamotsu Nikaido、Taichi Ohmoto、Satoshi Kubo、Yoshihiro Mimaki、Yutaka Sashida

  DOI：10.1016/0031-9422(92)83296-b

  日期：1992.7

  Six new steroidal saponins were isolated from the rhizomes of Smilax sieboldii. Their structures were determined by spectroscopic analysis and hydrolysis to be 3 beta-hydroxy-(25R)-5 alpha-spirostan-6-one (laxogenin) 3-O-beta-D-glucopyranosyl-(1----4)-O-[alpha-L-arabinopyranosyl-(1- ---6)]-beta-D-glucopyranoside, laxogenin 3-O-alpha-L-arabinopyranosyl-(1----6)-beta-D-glucopyranoside, 3 beta,27-dihydroxy-(25S)-5

  从 Smilax sieboldii 的根茎中分离出六种新的甾体皂苷。它们的结构通过光谱分析和水解确定为 3β-羟基-(25R)-5 α-spirostan-6-one (laxogenin) 3-O-β-D-glupyranosyl-(1----4)- O-[α-L-阿拉伯吡喃糖基-(1- ---6)]-β-D-吡喃葡萄糖苷，laxogenin 3-O-α-L-阿拉伯吡喃糖基-(1----6)-β-D-吡喃葡萄糖苷, 3 β,27-二羟基-(25S)-5 α-spirostan-6-one 3-O-β-D-吡喃葡萄糖基-(1----4)-O-[α-L-阿拉伯吡喃糖基-(1 - ---6)]- β-D-吡喃葡萄糖苷, 26-O-β-D-吡喃葡萄糖基-3 beta,22 xi,26-trihydroxy-(25R)-5 alpha-furostan-6-one 3-O- α-L-阿拉伯吡喃糖