Δ⁵-pregnene-3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside) 20-O-(β-D-digitalopyranosyl(1->4)-β-D-cymaropyranosyl(1->4)-β-D-cymaropyranosyl(1->4)-β-D-cymaropyranosyl(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-heptu... | 116709-64-9

• 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: Δ⁵-pregnene-3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside) 20-O-(β-D-digitalopyranosyl(1->4)-β-D-cymaropyranosyl(1->4)-β-D-cymaropyranosyl(1->4)-β-D-cymaropyranosyl(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-heptu...
• 英文别名: (2R,6R)-6-[[(3S,8R,9S,10R,13S,14S,17R)-17-[(1S)-1-[(3S,4'R,5'R,5aR,6'R,7S,9R,9aR)-5'-[(2S,4S,5R,6R)-5-[(2S,4S,5R,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-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4'-methoxy-6',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,2'-oxane]-7-yl]oxyethyl]-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-2H-pyran-5-one
• CAS: 116709-64-9
• 化学式: C₇₀H₁₁₂O₂₆
• 分子量: 1369.64
• InChiKey: FKEFEVSJQJDJAJ-BLBPLKLLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  96
• 可旋转键数：
  19
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  281
• 氢给体数：
  3
• 氢受体数：
  26

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 Δ⁵-pregnene-3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside) 20-O-(β-D-digitalopyranosyl(1->4)-β-D-cymaropyranosyl(1->4)-β-D-cymaropyranosyl(1->4)-β-D-cymaropyranosyl(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-heptu... 在 吡啶 作用下， 生成 periplocoside A'
  参考文献：
  名称：

  Periploca sepium的抗肿瘤成分的化学成分研究。IV。新的孕烷糖苷，peripolicosides D，E，L和M的结构。

  摘要：

  从 Periploca sepium（Asclepiadaceae）的抗肿瘤成分中分离出了四种新的孕烷苷和一种已知的孕烷苷（分别命名为 Periplocoside D、E、L、M 和 N），以及一种甾体化合物 S-20。通过化学和光谱方法确定了它们的结构。S-20 是首次从这种植物中获得。

  DOI：

  10.1248/cpb.36.2084

文献信息

• Studies on chemical constituents of antitumor fraction from Periploca sepium. IV. Structures of new pregnane glycosides, periplocosides D,E,L, and M.
  作者：HIDEJI ITOKAWA、JUNPING XU、KOICHI TAKEYA

  DOI：10.1248/cpb.36.2084

  日期：——

  Four new pregnane glycosides and a known pregnane glycoside (named periplocoside D, E, L, M, and N, respectively), as well as a steroidal compound S-20, have been isolated from the antitumor fraction of Periploca sepium (Asclepiadaceae). Their structures were established by chemical and spectroscopic methods. S-20 was obtained from this plant for the first time.

  从 Periploca sepium（Asclepiadaceae）的抗肿瘤成分中分离出了四种新的孕烷苷和一种已知的孕烷苷（分别命名为 Periplocoside D、E、L、M 和 N），以及一种甾体化合物 S-20。通过化学和光谱方法确定了它们的结构。S-20 是首次从这种植物中获得。