Daunomycinone-K

9-acetyl-7-[4-amino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: Daunomycinone-K|Daunomycinone K|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-|3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]hexopyranoside|9-acetyl-7-[4-amino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Molecular Formula	C39H47NO15
Molecular Weight	769.29456 g/mol
LogP	2.6
Topological Polar Surface Area	240.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	769.29456
Monoisotopic Mass	769.29456
Heavy Atoms	55
Complexity	1460.0

Chemical Identifiers

CAS Number	80930-63-8
SMILES	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O
InChIKey	XGOSBPLMSNDLKO-UHFFFAOYSA-N