3-[2-[6-[4-Ethyl-6-[5-ethyl-5-[5-hydroxy-5-(1-methoxyethyl)-6-methyloxan-2-yl]oxolan-2-yl]-3,6-dihydroxy-5-oxoheptan-2-yl]-3,5-dimethyloxan-2-yl]acetyl]-4-hydroxy-5-methylidenefuran-2-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-[2-[6-[4-Ethyl-6-[5-ethyl-5-[5-hydroxy-5-(1-methoxyethyl)-6-methyloxan-2-yl]oxolan-2-yl]-3,6-dihydroxy-5-oxoheptan-2-yl]-3,5-dimethyloxan-2-yl]acetyl]-4-hydroxy-5-methylidenefuran-2-one
• 英文别名: 3-[2-[6-[4-ethyl-6-[5-ethyl-5-[5-hydroxy-5-(1-methoxyethyl)-6-methyloxan-2-yl]oxolan-2-yl]-3,6-dihydroxy-5-oxoheptan-2-yl]-3,5-dimethyloxan-2-yl]acetyl]-4-hydroxy-5-methylidenefuran-2-one
• 化学式: C₃₈H₆₀O₁₂
• 分子量: 708.9
• InChiKey: VHHFSLSWGFTWTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  50
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• Ecteinamycin, compositions and uses thereof
  申请人：Wisconsin Alumni Research Foundation

  公开号：US10660874B2

  公开（公告）日：2020-05-26

  An isolated or synthesized compound of Formula I and salts thereof are provided. A compound isolated from Actinomadura and having a chemical formula of C38H60O12 is also provided. Compositions including the compounds and methods of using the compounds to treat bacterial infections including gram positive infections such as C. difficile are also disclosed.

  提供了一种分离或合成的式 I 化合物及其盐类。还提供了一种从 Actinomadura 分离出来的化合物，其化学式为 C38H60O12。还公开了包括该化合物的组合物以及使用该化合物治疗细菌感染（包括革兰氏阳性感染，如艰难梭菌）的方法。
• ECTEINAMYCIN, COMPOSITIONS AND USES THEREOF
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20170348278A1

  公开（公告）日：2017-12-07

  An isolated or synthesized compound of Formula I and salts thereof are provided. A compound isolated from Actinomadura and having a chemical formula of C 38 H 60 O 12 is also provided. Compositions including the compounds and methods of using the compounds to treat bacterial infections including gram positive infections such as C. difficile are also disclosed.