I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-27-(I(2)-D-glucopyranosyloxy)-2-hydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]- | 373647-11-1

• 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: I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-27-(I(2)-D-glucopyranosyloxy)-2-hydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-
• 英文别名: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-7,9,13-trimethyl-5'-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• CAS: 373647-11-1
• 化学式: C₅₁H₈₄O₂₃
• 分子量: 1065.2
• InChiKey: JNVASJAUPSEUEW-CQVGJKFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  74
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  355
• 氢给体数：
  13
• 氢受体数：
  23