| 1253283-92-9

• 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
• CAS: 1253283-92-9
• 化学式: C₈₁H₁₂₆O₁₇Si₃
• 分子量: 1456.14
• InChiKey: TUGPIXORINPZQX-ICIWFDPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.44
• 重原子数：
  101.0
• 可旋转键数：
  31.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  180.43
• 氢给体数：
  0.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  在 2,3-二氯-5,6-二氰基-1,4-苯醌 、 双(乙腈)氯化钯(II) 作用下， 以 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 8.0h， 以96%的产率得到3β, 16β,26-trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoyl-β-D-xylopyranosyl)-(1->3)-2-O-acetyl-α-L-arabinopyranoside
  参考文献：
  名称：

  Synthesis of cholestane glycosides bearing OSW-1 disaccharide or its 1→4-linked analogue and their antitumor activities

  摘要：

  For further structure-activity relationship (SAR) research of OSW saponins, a cholestane glycoside, namely 3 beta, 16 beta, 26-trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoyl-beta-D-xylopyranosyl)-(1 -> 3)-2-O- acetyl-alpha-L-arabinopyranoside (1) together with two 1 -> 4-linked disaccharide analogues (2 and 3) were synthesized. Their cytotoxic activities were evaluated by the standard MTT assay. Compound 1 showed potent cytotoxicity against five types of human tumor cells, with IC50 ranging between 1.3 and 73 nM. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.085
• 作为产物：
  描述：

  在 重铬酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 以84%的产率得到
  参考文献：
  名称：

  Synthesis of cholestane glycosides bearing OSW-1 disaccharide or its 1→4-linked analogue and their antitumor activities

  摘要：

  For further structure-activity relationship (SAR) research of OSW saponins, a cholestane glycoside, namely 3 beta, 16 beta, 26-trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoyl-beta-D-xylopyranosyl)-(1 -> 3)-2-O- acetyl-alpha-L-arabinopyranoside (1) together with two 1 -> 4-linked disaccharide analogues (2 and 3) were synthesized. Their cytotoxic activities were evaluated by the standard MTT assay. Compound 1 showed potent cytotoxicity against five types of human tumor cells, with IC50 ranging between 1.3 and 73 nM. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.085