Lemmatoxin C

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

Also Known As: Lemmatoxin C|(6aS)-10-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(6aS)-10-(((2R,3R,4S,5S,6R)-3-(((2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid|(5xi,8xi,9xi,10xi,17xi,18xi)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-L-glucopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oic acid

Molecular Formula	C48H78O17
Molecular Weight	926.5239 g/mol
LogP	1.7338
Topological Polar Surface Area	274.75 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	16
Rotatable Bonds	9
Exact Mass	926.5239
Monoisotopic Mass	926.5239
Heavy Atoms	65
Complexity	1777.335

Chemical Identifiers

CAS Number	52230-11-2
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7[C@]6(CCC8(C7CC(CC8)(C)C)C(=O)O)C)C)C)CO)O)O)CO)O)O)O)O)O