Thevebioside

3-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-[[(2R,5S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxymethyl]oxan-2-yl]oxy-14-hydroxy-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: Thevebioside|Thevebiosid|Thevebiosid [German]|AC1L1VOC|BRN 1278824|5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-2-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-|3-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-[[(2R,5S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxymethyl]oxan-2-yl]oxy-14-hydroxy-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

Molecular Formula	C36H56O13
Molecular Weight	696.3721 g/mol
LogP	0.93
Topological Polar Surface Area	193.83 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	696.3721
Heavy Atoms	49
Complexity	1263.2

Chemical Identifiers

CAS Number	114586-47-9
SMILES	CC1[C@H](C(C([C@@H](O1)O)OCC2[C@H](C(C([C@H](O2)O[C@H]3CC[C@]4([C@@H](C3)CCC5C4CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)C)O)OC)O)O)O