Panoside

3-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-dihydroxy-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: Panoside|3-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-dihydroxy-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-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-11,14,19-trihydroxycard-20(22)-enolide (3beta,5alpha,11beta)-|3-[(6-Deoxyhexopyranosyl)oxy]-11,14,19-trihydroxycard-20(22)-enolide|3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-11beta,14,19-trihydroxy-5alpha-card-20(22)-enolide|Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-11,14,19-trihydroxy-, (3beta,5alpha,11beta)-|(14xi)-3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-11beta,14,19-trihydroxy-5alpha-card-20(22)-enolide|3-((3S,5S,8R,9S,10R,11S,13R,14S,17R)-11,14-dihydroxy-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-[(3S,5S,8R,9S,10R,11S,13R,14S,17R)-11,14-dihydroxy-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

Molecular Formula	C29H44O10
Molecular Weight	552.29346 g/mol
LogP	-0.3
Topological Polar Surface Area	166.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	552.29346
Monoisotopic Mass	552.29346
Heavy Atoms	39
Complexity	1000.0

Chemical Identifiers

CAS Number	17669-76-0
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]3[C@H](C[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)CO)O)O)O
InChIKey	ZHXZFMUKNSGMQD-QQDDHVCESA-N