(4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2R)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2R)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
• 化学式: C₄₈H₇₄O₁₄
• 分子量: 875.1
• InChiKey: AZSNMRSAGSSBNP-FWGHNQOGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  62
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  170
• 氢给体数：
  3
• 氢受体数：
  14

文献信息

• Inhibitor for V-Atpase Activity, Antibacterial Agent, Medicine, Antibacterial Method and Screening Method
  申请人：Japan Science and Technology Agency

  公开号：US20220105076A1

  公开（公告）日：2022-04-07

  An inhibitor for Na + -translocating V-ATPase activity including a compound represented by where R 1 represents a group selected from a hydroxy group, an alkoxy group, and a haloalkoxy group, each bonded to an adjacent phenyl group via oxygen, or a group selected from a dialkylamino group, a heterocyclic amine, and a carboxylic acid amide group, each bonded to an adjacent phenyl group via nitrogen, or represents bromine, iodine, or a straight-chain hydrocarbon group. R 2 represents hydrogen or a haloalkoxy group. Z 1 represents an aliphatic hydrocarbon group, an alicyclic hydrocarbon group, an aromatic hydrocarbon group, or a heterocyclic group, each optionally having an arbitrary substituent and having a structure containing a double bond selected from between the group and an adjacent phenyl group. The symbol * represents a bond to the adjacent phenyl group.