Esculentoside F

(2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid

Also Known As: Esculentoside F|(2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid|3-[(4-O-Hexopyranosylpentopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioic acid|(2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-10-((2S,3R,4R,5R)-3,4-dihydroxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid|(5xi)-3beta-[(4-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy]-2beta,23-dihydroxy-18alpha-olean-12-ene-28,29-dioic acid|Olean-12-ene-28,29-dioic acid, 3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxy-, (2beta,3beta,4alpha,20beta)-

Molecular Formula	C41H64O16
Molecular Weight	812.41943 g/mol
LogP	0.529
Topological Polar Surface Area	273.36 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	812.41943
Monoisotopic Mass	812.41943
Heavy Atoms	57
Complexity	1590.714

Chemical Identifiers

CAS Number	95263-31-3
SMILES	C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O