Glucoscillipheoside

5-[(3S,10R,12R,13S,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Also Known As: Glucoscillipheoside|AC1L1JVD|Glucoscilliphaosid [German]|BRN 0076519|3-{[4-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxybufa-4,20,22-trienolide|(8xi,9xi)-3beta-{[4-O-(6-Deoxy-beta-D-glucopyranosyl)-beta-L-gulopyranosyl]oxy}-12beta,14-dihydroxybufa-4,20,22-trienolide|5-[(3S,10R,12R,13S,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one|Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-12-beta,14-dihydroxy-

Molecular Formula	C36H52O14
Molecular Weight	708.3357 g/mol
LogP	-0.19
Topological Polar Surface Area	228.97 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	708.3357
Heavy Atoms	50
Complexity	1462.0

Chemical Identifiers

CAS Number	21305-13-5
SMILES	C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H](O[C@@H]([C@H]([C@H]2O)O)O[C@H]3CC[C@@]4(C5C[C@H]([C@@]6([C@H](CC[C@@]6(C5CCC4=C3)O)C7=COC(=O)C=C7)C)O)C)CO)O)O)O