(20R,25R)-26-O-β-D-glucopyranosyl-3β,26-dihydroxycholest-5-en-16,22-dioxo-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside

• 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: (20R,25R)-26-O-β-D-glucopyranosyl-3β,26-dihydroxycholest-5-en-16,22-dioxo-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
• 英文别名: (3S,8S,9S,10R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(2R,6R)-6-methyl-3-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
• 化学式: C₄₅H₇₂O₁₈
• 分子量: 901.056
• InChiKey: HECYSHBRLVPASC-VBMFJATCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  63
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  292
• 氢给体数：
  10
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  (20R,25R)-26-O-β-D-glucopyranosyl-3β,26-dihydroxycholest-5-en-16,22-dioxo-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 L-鼠李糖 、 葡萄糖
  参考文献：
  名称：

  Studies on chemical constituents of Ophiopogon japonicus

  摘要：

  Two new and six known steroidal glucosides were isolated from the tuber of Ophiopogon japonicus. The new steroidal glucosides were established as (20R, 25R)-26-O-beta-D-glucopyranosyl-3 beta,26-dihydroxycholest-5-en-16,22-dioxo-3-O-alpha-L-rhamnopyranosyl-(1 -> 2)-beta-D-glucopyranoside (1) and 26-O-beta-D-glucopyranosyl-(25R)-furost-5-en-3 beta,14 alpha,17 alpha,22 alpha,26-pentaol-3-O-alpha-L-rhamnopyranosyl-(1 -> 2)-beta-D-glucopyranoside (3) on the basis of spectroscopic data as well as chemical evidence.

  DOI：

  10.1080/10286020.2014.935348