[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(8R,9S,10S,13R,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate

• 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: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(8R,9S,10S,13R,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
• 化学式: C₄₉H₇₆O₂₀
• 分子量: 985.1
• InChiKey: XVAPNQFQPDAROQ-SFGUTKSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  288
• 氢给体数：
  8
• 氢受体数：
  20

文献信息

• [EN] GLYCOSYLATED CARDIOTONIC STEROIDS<br/>[FR] STÉROÏDES CARDIOTONIQUES GLYCOSYLÉS
  申请人：UNIV NORTHEASTERN

  公开号：WO2014194068A1

  公开（公告）日：2014-12-04

  Compounds which are glycosylates of an A-ring of a cardiotonic steroid, wherein the steroid is attached to the anomeric position of (a) a monosaccharide comprising a C-4 amino group, or (b) an oligosaccharide are provided.

  提供了一种心力衰竭类固醇A环的糖基化化合物，其中类固醇连接到（a）包含C-4氨基团的单糖的环氧位置，或（b）寡糖的环氧位置。
• A PHARMACEUTICAL COMPOSITION CONTAINING AN ACTIVE AGENT HAVING THE EFFECT OF DIGITALIS AND A CGMP PHOSPHODIESTERASE INHIBITOR
  申请人：Synosens Kutato Es Fejleszto Kft.

  公开号：EP1648470A1

  公开（公告）日：2006-04-26
• GLYCOSYLATED CARDIOTONIC STEROIDS
  申请人：NORTHEASTERN UNIVERSITY

  公开号：US20160176914A1

  公开（公告）日：2016-06-23

  Compounds which are glycosylates of an A-ring of a cardiotonic steroid, wherein the steroid is attached to the anomeric position of (a) a monosaccharide comprising a C-4 amino group, or (b) an oligosaccharide are provided.
• US3954739A
  申请人：——

  公开号：US3954739A

  公开（公告）日：1976-05-04
• US3963697A
  申请人：——

  公开号：US3963697A

  公开（公告）日：1976-06-15