pregn-5-ene-3β,17α,20(S)-triol-3-O-(4,6-dideoxy-3-methoxy-2-hexosuloside-3-ene)-20-O-2-O-acetyl-β-D-digitalopyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→5)-O-3,7-dideoxy-4-methoxy-2-heptulopyranosyl(2→4)-dioxy-(1→3)-O-β-canaropyranoside

• 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: pregn-5-ene-3β,17α,20(S)-triol-3-O-(4,6-dideoxy-3-methoxy-2-hexosuloside-3-ene)-20-O-2-O-acetyl-β-D-digitalopyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→5)-O-3,7-dideoxy-4-methoxy-2-heptulopyranosyl(2→4)-dioxy-(1→3)-O-β-canaropyranoside
• 英文别名: periplocoside X
• 化学式: C₇₉H₁₂₆O₃₀
• 分子量: 1555.85
• InChiKey: OVPPHWJLEQQZOW-KICANVTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.26
• 重原子数：
  109.0
• 可旋转键数：
  23.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  314.58
• 氢给体数：
  2.0
• 氢受体数：
  30.0

反应信息

• 作为反应物：
  描述：

  pregn-5-ene-3β,17α,20(S)-triol-3-O-(4,6-dideoxy-3-methoxy-2-hexosuloside-3-ene)-20-O-2-O-acetyl-β-D-digitalopyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→4)-O-β-cymaropyranosyl(1→5)-O-3,7-dideoxy-4-methoxy-2-heptulopyranosyl(2→4)-dioxy-(1→3)-O-β-canaropyranoside 在 硫酸 作用下， 以 甲醇 、 水 为溶剂， 生成 D-symarose 、 3-O-甲基-D-岩藻糖 、 D-canarose
  参考文献：
  名称：

  Chemical constituents from the roots ofPeriploca sepiumwith insecticidal activity

  摘要：

  Five compounds were isolated from the root powder of Periploca sepium. By mainly HR-ESI-MS, H-1, C-13, and 2D NMR spectral data, they were characterized as periplocoside X (1), oligasaccharide A (2), periplocoside A (3), periplocoside E (4), and periplocoside N (5), respectively. Compounds 1-5 were found to possess insecticidal activities against the red imported fire ant. Among the compounds, periplocoside X showed significant activity with LD50 values of 748.99, 116.62, 2169.58, and 3079.33mg/l against soldiers, workers, males, and alate females of red imported fire ant, respectively.

  DOI：

  10.1080/10286020.2012.691880