Frugoside

3-[(3S,5R,8R,9S,10R,13R,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-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: Frugoside|CG-3-L-RN|Cannogenol-3-O-alpha-L-rhamnoside|KST-1A8303|KST-1A8304|3-[(3S,5R,8R,9S,10R,13R,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-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,14xi)-3-[(6-deoxy-|A-l-mannopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide|3-[(6-Deoxyhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide|(14xi)-3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-14,19-dihydroxy-5beta-card-20(22)-enolide|Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-14,19-dihydroxy-, (3beta,5beta)-

Molecular Formula	C29H44O9
Molecular Weight	536.2985 g/mol
LogP	0.9
Topological Polar Surface Area	146.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	536.2985
Monoisotopic Mass	536.2985
Heavy Atoms	38
Complexity	970.0

Chemical Identifiers

CAS Number	8015-22-3
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(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)CO)O)O)O
InChIKey	WPVGSIBYLZQSIK-ZYIGTGHHSA-N