PICRASINOSIDE B

4,15-dimethoxy-2,6,14,17-tetramethyl-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione

Also Known As: PICRASINOSIDE B|(16alpha)-16-(beta-D-Glucopyranosyloxy)-2,12-dimethoxypicrasa-2,12-diene-1,11-dione|(1S,2S,6S,7S,9R,11S,13R,17S)-4,15-Dimethoxy-2,6,14,17-tetramethyl-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione|4,15-Dimethoxy-2,6,14,17-tetramethyl-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione|Picrasa-2,12-diene-1,11-dione, 16-(beta-D-glucopyranosyloxy)-2,12-dimethoxy-, (16alpha)-

Molecular Formula	C28H40O11
Molecular Weight	552.2571 g/mol
LogP	0.7
Topological Polar Surface Area	161.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	552.2571
Monoisotopic Mass	552.2571
Heavy Atoms	39
Complexity	1090.0

Chemical Identifiers

CAS Number	89200-08-8
SMILES	CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)OC5C(C(C(C(O5)CO)O)O)O)C)OC)C)C)OC
InChIKey	WBJUWMYAOGSXPY-UHFFFAOYSA-N