13,31,44-trihydroxy-40-[hydroxy(oxido)azaniumyl]-41-(methoxycarbonylamino)-10,18,35,42,50-pentamethyl-52,54-dioxo-14-(1-oxopropan-2-yloxy)-2,4,7,12,16,21,23,25,27,33,38,49,53-tetradecaoxaundecacyclo[48.2.2.234,37.13,6.18,11.122,26.128,32.139,43.01,51.017,26.031,36]hexaconta-9,18,46,55-tetraen-42-amine

• 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: 13,31,44-trihydroxy-40-[hydroxy(oxido)azaniumyl]-41-(methoxycarbonylamino)-10,18,35,42,50-pentamethyl-52,54-dioxo-14-(1-oxopropan-2-yloxy)-2,4,7,12,16,21,23,25,27,33,38,49,53-tetradecaoxaundecacyclo[48.2.2.234,37.13,6.18,11.122,26.128,32.139,43.01,51.017,26.031,36]hexaconta-9,18,46,55-tetraen-42-amine
• 化学式: C66H100N2O23
• InChiKey: NXNMJBSDJYZCJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.51
• 重原子数：
  91.0
• 可旋转键数：
  13.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  328.95
• 氢给体数：
  7.0
• 氢受体数：
  23.0