beta-D-Glucopyranoside, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl O-2,3,4,6-tetra-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-2,4,6-tri-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-2,4,6-tri-O-sulfo-betaD-glucopyranosyl-(1->3)-O-2,4,6-tri-O-sulfo-beta-D-glucopyranosyl-(1->3)-, 2,4,6-tris(hydrogen sulfate)

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: beta-D-Glucopyranoside, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl O-2,3,4,6-tetra-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-2,4,6-tri-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-2,4,6-tri-O-sulfo-betaD-glucopyranosyl-(1->3)-O-2,4,6-tri-O-sulfo-beta-D-glucopyranosyl-(1->3)-, 2,4,6-tris(hydrogen sulfate)
• 英文别名: [(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfooxy-6-(sulfooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate
• 化学式: C₄₀H₇₀O₇₄S₁₆
• 分子量: 2248.0
• InChiKey: GTNLWLNTCSZBPV-RKMDQFRJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.8
• 重原子数：
  130
• 可旋转键数：
  48
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1240
• 氢给体数：
  16
• 氢受体数：
  74