Altering hydrophilic and hydrophobic region via O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds and Van der Waals forces in solagenin 6-O-(beta-D-quinovopyranoside) methanol solvate monohydrate

作者：Lu Yuan Yuan; Wang Xiao Bing; Kong Ling Yi^*

来源：Journal of Chemical Crystallography, 2008, 38(7): 533-539.

DOI：10.1007/s10870-008-9375-1

• crystal structure
• solagenin 6-O-(beta-D-quinovopyranoside)
• Solanum torvum
• absolute structure
• hydrogen bond
• van der Waals force

The title compound, C(33)H(52)O(8)center dot CH(3)OH center dot H(2)O, isolated from Solanum torvum, consisted of a solagenin 6-O-(beta-D-quinovopyranoside) molecule, a methanol solvate and a hydrate. The six-membered rings A, B, C, F and G have chair conformations. The five-membered ring D adopts a half-chair conformation and the ring E adopts an envelope conformation. The A/B, B/C and C/D ring junctions are trans, whereas the D/E junction is cis. The molecular packing appeared to be established by alternation of a hydrophilic region involving methanol molecules, water molecules and the beta-D-quinovopyranoside of the steroid nucleus via the classic O-H center dot center dot center dot O hydrogen bonds and a hydrophobic region consisted by the other part of the steroid nucleus via weak C-H center dot center dot center dot O hydrogen bonds and van der Waals forces.

• 出版日期2008-7
• 单位中国药科大学