(25S)-spirostan-1β,3β,5β,26-tetraol-5-O-β-D-glucoside | 1418027-53-8

• 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: (25S)-spirostan-1β,3β,5β,26-tetraol-5-O-β-D-glucoside
• 英文别名: (25S)-spirostane-1β,3β,5β-triol 5-β-D-glucopyranoside；reinocarnoside A；(2S,3R,4S,5S,6R)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13S,14R,16S,18S)-14,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-18-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 1418027-53-8
• 化学式: C₃₃H₅₄O₁₀
• 分子量: 610.786
• InChiKey: YXTYWSJYAVWBTF-CRHBOHDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  43
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  158
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (25S)-spirostan-1β,3β,5β,26-tetraol-5-O-β-D-glucoside 在 盐酸 、 水 作用下， 生成 葡萄糖
  参考文献：
  名称：

  Three new steroidal glycosides from roots ofReineckia carnea

  摘要：

  Two new spirostanols and a new furostanol, reinocarnoside A (1), B (2) and C (3), were isolated from the roots of Reineckia carnea, together with two known compounds, (25S)-1,3,4-trihydroxyspirostan-5-yl-O--D-glucopyranoside (4), kitigenin-5-O--D-glucopyranoside (5). The structures of three new compounds were elucidated by spectroscopic methods including 1-D NMR, 2-D NMR and MS spectrums, and their anticancer activities were evaluated by MTT method.

  DOI：

  10.1080/14786419.2012.658797

文献信息

• Three new steroidal glycosides from roots of<i>Reineckia carnea</i>
  作者：Qian Wang、Qune Hou、Zhiyong Guo、Kun Zou、Yanhong Xue、Nianyu Huang、Fan Cheng、Yuan Zhou

  DOI：10.1080/14786419.2012.658797

  日期：2013.1

  Two new spirostanols and a new furostanol, reinocarnoside A (1), B (2) and C (3), were isolated from the roots of Reineckia carnea, together with two known compounds, (25S)-1,3,4-trihydroxyspirostan-5-yl-O--D-glucopyranoside (4), kitigenin-5-O--D-glucopyranoside (5). The structures of three new compounds were elucidated by spectroscopic methods including 1-D NMR, 2-D NMR and MS spectrums, and their anticancer activities were evaluated by MTT method.