caudatin 3-O-β-D-glucopyranosyl-(1->4)-α-L-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-α-L-cymaropyranosyl-(1->4)-β-D-oleandropyranosyl-(1->4)-β-D-cymaropyranoside | 1326583-16-7

• 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: caudatin 3-O-β-D-glucopyranosyl-(1->4)-α-L-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-α-L-cymaropyranosyl-(1->4)-β-D-oleandropyranosyl-(1->4)-β-D-cymaropyranoside
• 英文别名: otophylloside S
• CAS: 1326583-16-7
• 化学式: C₇₆H₁₂₄O₃₀
• 分子量: 1517.8
• InChiKey: HISFXMZPZLEDOG-AKGIXEBCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  106.0
• 可旋转键数：
  25.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  369.58
• 氢给体数：
  7.0
• 氢受体数：
  30.0

反应信息

• 作为反应物：
  描述：

  caudatin 3-O-β-D-glucopyranosyl-(1->4)-α-L-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-α-L-cymaropyranosyl-(1->4)-β-D-oleandropyranosyl-(1->4)-β-D-cymaropyranoside 生成 D-cymarose 、 D-葡萄糖 、 D-oleandropyranose 、 L-cymarose 、 告达亭甙元
  参考文献：
  名称：

  Identification of new qingyangshengenin and caudatin glycosides from the roots of Cynanchum otophyllum

  摘要：

  HPLC analysis of the roots of Cynanchum otophyllum Scheind (Asclepiadaceae) led to the isolation of six new pregnane glycosides, specifically otophyllosides N-P (2-4) and otophyllosides Q-S (7-9), in addition to the identification of three known C-21 steroidal glycosides, otophylloside A (1), otophylloside B (5) and caudatin 3-O-beta-D-glucopyranosyl-(1 -> 4)-beta-D-oleandropyranosyl-(1 -> 4)-beta-D-cymaropyranosyl-(1 -> 4)-beta-D-cymaropyranoside (6). The structure of each glycoside was determined by detailed spectroscopic analysis and chemical methods. All compounds contain qingyangshengenin or caudatin aglycones and a straight sugar chain consisting of 4-7 hexosyl moieties with the mode of 1 -> 4 linkage. The optically isomeric monosaccharides, D- and L-cymarose, coexisted in both otophyllosides R (8) and S (9). (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2011.03.019