I(2)-D-Glucopyranoside, (3I(2),6I+/-,12I(2))-3,12,17-trihydroxy-6-(I(2)-D-xylopyranosyloxy)dammar-24-en-20-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a6)-O-[I(2)-D-glucopyranosyl-(1a2)]- | 251101-56-1

• 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: I(2)-D-Glucopyranoside, (3I(2),6I+/-,12I(2))-3,12,17-trihydroxy-6-(I(2)-D-xylopyranosyloxy)dammar-24-en-20-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a6)-O-[I(2)-D-glucopyranosyl-(1a2)]-
• 英文别名: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17R)-3,12,17-trihydroxy-4,4,8,10,14-pentamethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• CAS: 251101-56-1
• 化学式: C₅₃H₉₀O₂₃
• 分子量: 1095.3
• InChiKey: OZEDEQJLFBHIEM-RRRCVURHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  76
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  377
• 氢给体数：
  15
• 氢受体数：
  23