sambacoside A | 115547-25-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: sambacoside A
• 英文别名: methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(1S,2R,3R,5R)-3-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-5-[(2S)-1-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-3-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
• CAS: 115547-25-6；115649-95-1
• 化学式: C₆₁H₈₆O₃₄
• 分子量: 1363.33
• InChiKey: PCMFSBCRKKRDDK-IEIIJBAFSA-N

物化性质

• 沸点：
  1274.6±65.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  95
• 可旋转键数：
  31
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  504
• 氢给体数：
  13
• 氢受体数：
  34

反应信息

• 作为反应物：
  描述：

  sambacoside A 生成 Acetic acid (1S,2R,3R,5R)-3-acetoxy-5-(2-acetoxy-1-acetoxymethyl-ethyl)-2-methyl-cyclopentylmethyl ester
  参考文献：
  名称：

  Sambacosides a, e and f, novel tetrameric iridoid glucosides from jasminum sambac

  摘要：

  DOI：

  10.1016/s0040-4039(00)82045-6

文献信息

• Iridoidal glycosides from Jasminum sambac
  作者：Ying-Jun Zhang、Yu-Qing Liu、Xiang-Yu Pu、Chong-Ren Yang

  DOI：10.1016/0031-9422(94)e0200-c

  日期：1995.3

  Besides a known trimeric iridoidal glycoside, sambacoside A, five new oligomeric iridoidal glycosides, molihuasides A-E were isolated from the flowers of Jasminum sambac. Their structures were determined by spectral and chemical evidence. Among them, molihuasides A and C-E are new dimeric iridoidal glycosides and molihuaside B is a new trimeric iridoidal glycoside.
• Sambacosides a, e and f, novel tetrameric iridoid glucosides from jasminum sambac
  作者：Takao Tanahashi、Naotaka Nagakura、Kenichiro Inoue、Hiroyuki Inouye

  DOI：10.1016/s0040-4039(00)82045-6

  日期：1988.1