(25R)-5α-spirostan-2α,3β,27-triol 3-O-α-L-rhamnopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside | 366464-43-9

• 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: (25R)-5α-spirostan-2α,3β,27-triol 3-O-α-L-rhamnopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside
• 英文别名: (2α,3β,5α,25S)-2,3,27-trihydroxyspirostane 3-O-α-L-rhamnopyranosyl-(1-2)-O-[α-L-rhamnopyranosyl-(1-4)]-β-D-glucopyranoside；tuberoside A；tuberoside K；I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-；(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-2-(hydroxymethyl)-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: 366464-43-9
• 化学式: C₄₅H₇₄O₁₈
• 分子量: 903.072
• InChiKey: VFFZTNVCORWDDD-IZWCFNPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  63
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  276
• 氢给体数：
  10
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  (25R)-5α-spirostan-2α,3β,27-triol 3-O-α-L-rhamnopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside 在 硫酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 (25R)-5α-spirostan-2α,3β,27-triol
  参考文献：
  名称：

  A steroidal saponin from the seeds of Allium tuberosum

  摘要：

  A steroidal saponin, named tuberoside, together with seven known compounds, were isolated from the seeds of Allium tuberosum Rottl. ex Spreng. Its structure was established by spectroscopic data, hydrolysis, and comparison with spectral data of known compounds to be (2 alpha, 3 beta, 5 alpha, 25S)-2,3,27-trihydroxyspirostane 3-O-alpha -L-rhamnopyranoyl-(1-->2)-O-[alpha -L-rhamnopyranoyl-(1-->4)](beta -D-glucopyranoside. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0031-9422(01)00216-3