1-O-β-D-glucopyranosyl-(2S,3S,4R,6E)-[2'(R)-2'-hydroxypalmitoylamino]-6-octadecene-1,3,4-triol | 1253042-11-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 英文名称: 1-O-β-D-glucopyranosyl-(2S,3S,4R,6E)-[2'(R)-2'-hydroxypalmitoylamino]-6-octadecene-1,3,4-triol
• 英文别名: hippophae cerebroside；(2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]-2-hydroxyhexadecanamide
• CAS: 1253042-11-3
• 化学式: C₄₀H₇₇NO₁₀
• 分子量: 732.052
• InChiKey: NGYUWEODGOBJKH-BAKPKTSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  51
• 可旋转键数：
  33
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  189
• 氢给体数：
  8
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1-O-β-D-glucopyranosyl-(2S,3S,4R,6E)-[2'(R)-2'-hydroxypalmitoylamino]-6-octadecene-1,3,4-triol 在 水 作用下， 生成 葡萄糖
  参考文献：
  名称：

  Chemical constituents from the fruits of Hippophae rhamnoides

  摘要：

  Ten compounds were isolated from the fruits of Hippophae rhamnoides. On the basis of spectroscopic and chemical methods, the structures of these compounds were elucidated as hippophae cerebroside (1), oleanolic acid (2), ursolic acid (3), 19--hydroxyursolic acid (4), dulcioic acid (5), 5-hydroxymethyl-2-furancarbox-aldehyde (6), cirsiumaldehyde (7), octacosanoic acid (8), palmitic acid (9) and 1-O-hexadecanolenin (10). Among them, 1 was a new compound, and 4-7 and 10 were obtained from the genus for the first time.

  DOI：

  10.1080/14786410903075457

文献信息

• Chemical constituents from the fruits of <i>Hippophae rhamnoides</i>
  作者：Rui-Xia Zheng、Xu-Dong Xu、Ze Tian、Jun-Shan Yang

  DOI：10.1080/14786410903075457

  日期：2009.10.15

  Ten compounds were isolated from the fruits of Hippophae rhamnoides. On the basis of spectroscopic and chemical methods, the structures of these compounds were elucidated as hippophae cerebroside (1), oleanolic acid (2), ursolic acid (3), 19--hydroxyursolic acid (4), dulcioic acid (5), 5-hydroxymethyl-2-furancarbox-aldehyde (6), cirsiumaldehyde (7), octacosanoic acid (8), palmitic acid (9) and 1-O-hexadecanolenin (10). Among them, 1 was a new compound, and 4-7 and 10 were obtained from the genus for the first time.