β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canaropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->4)-D-oleandro-1,5-lactone | 119902-18-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canaropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->4)-D-oleandro-1,5-lactone
• 英文别名: (4R,5R,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-one
• CAS: 119902-18-0
• 化学式: C₃₃H₅₆O₁₇
• 分子量: 724.797
• InChiKey: OOZRTDLVFJFUIR-JDVOBIJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  50
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  209
• 氢给体数：
  4
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canaropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->4)-D-oleandro-1,5-lactone 、 乙酸酐 生成 [(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-4-acetyloxy-6-[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy-2-methyloxan-3-yl]oxy-3-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2-methyloxan-4-yl] acetate
  参考文献：
  名称：

  ITOKAWA, HIDEJI;XU, JUNPING;TAKEYA, KOICHI, CHEM. AND PHARM. BULL., 36,(1988) N1, C. 4441-4446

  摘要：

  DOI：
• 作为产物：
  描述：

  (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,6S)-6-[(2R,3S,4R,6S)-6-[(2R,3S,4S,6S)-6-[(2'R,3S,3'R,4'R,5aR,7S,9R,9aR)-7-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-4'-methoxy-2',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol 生成 β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canaropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->4)-D-oleandro-1,5-lactone
  参考文献：
  名称：

  ITOKAWA, HIDEJI;XU, JUNPING;TAKEYA, KOICHI, CHEM. AND PHARM. BULL., 36,(1988) N1, C. 4441-4446

  摘要：

  DOI：

文献信息

• Studies on chemical constituents of antitumor fraction from Periploca sepium. V. Structures of new pregnane glycosides, periplocosides J, K, F and O.
  作者：HIDEJI ITOKAWA、JUNPING XU、KOICHI TAKEYA

  DOI：10.1248/cpb.36.4441

  日期：——

  Four new pregnane glycosides, named periplocosides J, K, F and O, have been isolated from the antitumor fraction of Periploca sepium (Asclepiadaceae). Their structures were established by various nuclear magnetic resonance techniques and chemical evidence.

  从杠柳（夹竹桃科）的抗肿瘤部位中分离出了四种新的孕烷糖苷，分别命名为杠柳苷J、K、F和O。它们的结构通过多种核磁共振技术和化学证据得以确定。
• ITOKAWA, HIDEJI;XU, JUNPING;TAKEYA, KOICHI, CHEM. AND PHARM. BULL., 36,(1988) N1, C. 4441-4446
  作者：ITOKAWA, HIDEJI、XU, JUNPING、TAKEYA, KOICHI

  DOI：——

  日期：——