Thevetin

3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2S,3R,4R,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Also Known As: Thevetin|Thevetine|Gadolinium phosphide|Gd-P|Gadolinium phosphide (GdP)|KST-1A0875|KST-1A0876|3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2S,3R,4R,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|(3|A,5|A,17xi)-3-{[|A-d-glucopyranosyl-(1->6)-|A-d-glucopyranosyl-(1->4)-6-deoxy-3-o-methyl-|A-l-idopyranosyl]oxy}-14-hydroxycard-20(22)-enolide|234-249-3|GDP

Molecular Formula	C42H66O18
Molecular Weight	858.4249 g/mol
LogP	-1.6
Topological Polar Surface Area	273.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	18
Rotatable Bonds	10
Exact Mass	858.4249
Monoisotopic Mass	858.4249
Heavy Atoms	60
Complexity	1570.0

Chemical Identifiers

CAS Number	1202-82-0
SMILES	C[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O
InChIKey	GZVMBXDQUQRICT-TZNWHQCUSA-N