(3I(2),5I+/-)-Solanid-5-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-xylopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside | 195433-57-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (3I(2),5I+/-)-Solanid-5-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-xylopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside
• 英文别名: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 195433-57-9
• 化学式: C₅₀H₈₁NO₂₀
• 分子量: 1016.2
• InChiKey: AGGQBLQYYGOWKY-IGUMAVTISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  71
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  320
• 氢给体数：
  12
• 氢受体数：
  21