Corynetoxin HI7a

N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide

Also Known As: Corynetoxin HI7a|2,4(1H,3H)-Pyrimidinedione, 1-((11S)-11-O-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl)-6,10-dideoxy-10-((3-hydroxy-14-methyl-1-oxohexadecyl)amino)-L-galacto-beta-D-allo-undecodialdo-1,4-furanose-11,7-pyranos-1-yl)-|N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide

Molecular Formula	C40H68N4O17
Molecular Weight	876.45795 g/mol
LogP	0.6
Topological Polar Surface Area	327.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	17
Rotatable Bonds	23
Exact Mass	876.45795
Monoisotopic Mass	876.45795
Heavy Atoms	61
Complexity	1450.0

Chemical Identifiers

CAS Number	82151-55-1
SMILES	CCC(C)CCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O)O
InChIKey	DFSIRIGCTBKPHD-UHFFFAOYSA-N