Arylazidoatractyloside

dipotassium;[2-[4-(4-azido-2-nitroanilino)butanoyloxymethyl]-6-[(5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-5-(3-methylbutanoyloxy)-3-sulfonatooxyoxan-4-yl] sulfate

Also Known As: Arylazidoatractyloside|N-4-Azido-2-nitrophenylaminobutyryl atractyloside|dipotassium;[2-[4-(4-azido-2-nitroanilino)butanoyloxymethyl]-6-[(5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]-5-(3-methylbutanoyloxy)-3-sulfonatooxyoxan-4-yl] sulfate|19-Norkaur-16-en-18-oic acid, 2-((6-O-(4-((4-azido-2-nitrophenyl)amino)-1-oxobutyl)-2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-15-hydroxy-, dipotassium salt, (2beta,4alpha,15alpha)-

Molecular Formula	C40H53K2N5O19S2
Molecular Weight	1049.2051 g/mol
LogP	-1.717
Topological Polar Surface Area	365.38 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	20
Rotatable Bonds	19
Exact Mass	1049.2051
Monoisotopic Mass	1049.2051
Heavy Atoms	68
Complexity	2341.5105

Chemical Identifiers

CAS Number	65792-55-4
SMILES	CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)COC(=O)CCCNC6=C(C=C(C=C6)N=[N+]=[N-])[N+](=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]