16α,23α-epoxy-2,20β-dihydroxycucurbita-1,5,24-triene-2-O-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: 16α,23α-epoxy-2,20β-dihydroxycucurbita-1,5,24-triene-2-O-β-D-glucopyranoside
• 英文别名: khekadaengoside G；aoibaclyin；2,20(S)-dihydroxy-16α,23(R)-epoxycucurbita-5,24-diene-3,11-dione 2-O-β-glucopyranoside；(1S,2S,4R,6R,8S,9R,10R,13R,14R)-8-hydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-15,19-diene-12,17-dione
• 化学式: C₃₆H₅₂O₁₀
• 分子量: 644.803
• InChiKey: MJHZIBPAZLJXHU-DJJXZBOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  46
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  163
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  16α,23α-epoxy-2,20β-dihydroxycucurbita-1,5,24-triene-2-O-β-D-glucopyranoside 在 hesperidinase 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 khekadaengoside IV
  参考文献：
  名称：

  Cucurbitane, hexanorcucurbitane and octanorcucurbitane glycosides from fruits of Trichosanthes tricuspidata

  摘要：

  From the fruits of Trichosanthes tricuspidata, 14 cucurbitane glycosides (khekadaengosides A-J, M-N, cucurbitacin J 2-O-beta-glucopyranoside and cucurbitacin K 2-O-beta-glucopyranoside), a hexanorcucurbitane glucoside (khekadaengoside K) and octanorcucurbitane (khekadaengoside L) were isolated along with two known cucurbitane glucosides (cucurbitacin 2-O-beta-glucopyranoside and 25-O-acetyl-cucurbitacin 2-O-beta-glucopyranoside). Structural elucidations were based on chemical and spectroscopic analyses. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(01)00430-7

文献信息

• Cucurbitane, hexanorcucurbitane and octanorcucurbitane glycosides from fruits of Trichosanthes tricuspidata
  作者：Tripetch Kanchanapoom、Ryoji Kasai、Kazuo Yamasaki

  DOI：10.1016/s0031-9422(01)00430-7

  日期：2002.1

  From the fruits of Trichosanthes tricuspidata, 14 cucurbitane glycosides (khekadaengosides A-J, M-N, cucurbitacin J 2-O-beta-glucopyranoside and cucurbitacin K 2-O-beta-glucopyranoside), a hexanorcucurbitane glucoside (khekadaengoside K) and octanorcucurbitane (khekadaengoside L) were isolated along with two known cucurbitane glucosides (cucurbitacin 2-O-beta-glucopyranoside and 25-O-acetyl-cucurbitacin 2-O-beta-glucopyranoside). Structural elucidations were based on chemical and spectroscopic analyses. (C) 2002 Elsevier Science Ltd. All rights reserved.