Rudolfomycin

methyl 4-[5-[5-[(3-amino-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Also Known As: Rudolfomycin|Rudolphomycin|methyl 4-({4-o-[4-o-(3-amino-6-methyl-5-oxo-5,6-dihydro-2h-pyran-2-yl)-2,6-dideoxyhexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl}oxy)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|(1R-(1alpha,2beta,4beta(2R*,6S*)))-4-((4-O-(4-O-(3-Amino-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid, methyl ester|1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((4-O-(4-O-(3-amino-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,11-dioxo-2-ethyl-2,5,7,10-tetrahydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta-(2R*,6S*)))-|methyl 4-[5-[5-[(3-amino-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Molecular Formula	C42H52N2O16
Molecular Weight	840.33167 g/mol
LogP	1.93
Topological Polar Surface Area	263.3 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	18
Rotatable Bonds	9
Exact Mass	840.33167
Heavy Atoms	60
Complexity	2093.0

Chemical Identifiers

CAS Number	69245-38-1
SMILES	CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C(=CC(=O)C(O7)C)N)O)N(C)C)O