(1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20S,21S,25R,27S,28S,31S,33S,35R,37S,38R)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19,25,27,28,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid; 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20S,21S,25R,27S,28S,31S,33S,35R,37S,38R)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19,25,27,28,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid; 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
• 英文别名: (1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid;2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
• 化学式: C60H85F2N7O18
• 分子量: 1230.3
• InChiKey: ILDPCSGOYMKUNH-KQDMMTJWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  87
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  401
• 氢给体数：
  13
• 氢受体数：
  25