[11-(2,3-Dihydroxypropyl)-11,12-dihydroxy-34-(1-hydroxy-3-oxonona-6,8-dienyl)-3,30,34,41-tetramethyl-32-methylidene-2,6,10,15,20,25,29,35,39-nonaoxanonacyclo[22.19.0.03,21.05,19.07,16.09,14.026,40.028,38.030,36]tritetracont-17-en-13-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 雪卡毒素
• 英文名称: [11-(2,3-Dihydroxypropyl)-11,12-dihydroxy-34-(1-hydroxy-3-oxonona-6,8-dienyl)-3,30,34,41-tetramethyl-32-methylidene-2,6,10,15,20,25,29,35,39-nonaoxanonacyclo[22.19.0.03,21.05,19.07,16.09,14.026,40.028,38.030,36]tritetracont-17-en-13-yl] hydrogen sulfate
• 英文别名: [11-(2,3-dihydroxypropyl)-11,12-dihydroxy-34-(1-hydroxy-3-oxonona-6,8-dienyl)-3,30,34,41-tetramethyl-32-methylidene-2,6,10,15,20,25,29,35,39-nonaoxanonacyclo[22.19.0.03,21.05,19.07,16.09,14.026,40.028,38.030,36]tritetracont-17-en-13-yl] hydrogen sulfate
• 化学式: C₅₁H₇₆O₁₉S
• 分子量: 1025.2
• InChiKey: IKZUMFNTJLMSPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  71
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  273
• 氢给体数：
  6
• 氢受体数：
  19