Descarbomethoxyrudolfomycin

7-[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-9-ethyl-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: Descarbomethoxyrudolfomycin|5,12-Naphthacenedione, 7-((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)-9-ethyl-7,8,9,10-tetrahydro-1,4,6,9-tetrahydroxy-, (7S-(7alpha(2S*,6R*),9alpha))-|3-Ethyl-3,7,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 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)hexopyranoside|7-[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-9-ethyl-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Molecular Formula	C40H50N2O14
Molecular Weight	782.32623 g/mol
LogP	2.9
Topological Polar Surface Area	237.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	782.32623
Monoisotopic Mass	782.32623
Heavy Atoms	56
Complexity	1510.0

Chemical Identifiers

CAS Number	70135-19-2
SMILES	CCC1(CC(C2=C(C3=C(C=C2C1)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
InChIKey	XBDDKCCRZYCCRJ-UHFFFAOYSA-N