3-O-β-D-xylopyranosylechinocystic acid 28-O-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl ester | 1227699-26-4

• 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: 3-O-β-D-xylopyranosylechinocystic acid 28-O-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl ester
• 英文别名: 3-O-β-D-xylopyranosyl echinocystic acid 28-O-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside；agrostemmoside D；[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• CAS: 1227699-26-4
• 化学式: C₅₈H₉₄O₂₇
• 分子量: 1223.37
• InChiKey: VLSLJGDFFHAYFH-AOAKPWDJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  85
• 可旋转键数：
  14
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  433
• 氢给体数：
  16
• 氢受体数：
  27

反应信息

• 作为反应物：
  描述：

  3-O-β-D-xylopyranosylechinocystic acid 28-O-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl ester 在 盐酸 、 水 作用下， 反应 4.0h， 生成 D-木糖 、 葡萄糖
  参考文献：
  名称：

  Gynostemosides A–E, megastigmane glycosides from Gynostemma pentaphyllum

  摘要：

  Megastigmane glycosides (1-5) together with seven (6-12) related known compounds were isolated from the whole plants of Gynostemma pentaphyllum. The structures were elucidated by means of spectroscopic methods, including 2D NMR, HR-ESIMS, and circular dichroism (CD), as well as chemical transformations to be (3R, 4R, 5S, 6S, 7E)-3,4,6-trihydroxymegastigmane-7-en-9-one-3-O-beta-D-glucopyranoside (gynostemoside A. 1), (3S, 4S, 5R, 6R, 7E, 9R)-3,4,6,9-tetrahydroxymegastigmane-7-en-3-O-beta-D-glucopyranoside (gynostemoside B, 2), (3S, 4S, 5S, 6S, 7E, 9R)-3,4,9-trihydroxymegastigmane-7-en-9-O-beta-D-glucopyranoside (gynostemoside C, 3), (3S, 4S, 5S, 6S, 7E, 9R)-3,4,9-trihydroxymegastigmane-7-en-3-O-beta-D-glucopyranoside (gynostemoside D, 4), and (3S, 4S, 5S, 6S, 7E, 9R)-3,4,9-trihydroxymegastigmane-7-en-4-O-beta-D-glucopyranoside (gynostemoside E, 5), respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2009.12.017