10-Decarbomethoxyaclacinomycin A

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

Also Known As: N-Bz-Tyr-Ala-OH|10-Decarbomethoxyaclacinomycin A|7-epi-10-Decarbomethoxyaclacinomycin A|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,8,11-trihydroxy-10-((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)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-|10-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan-2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-8-ethyl-1,8,11-trihydroxy-9,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,8,11-trihydroxy-10-((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)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-trans)-|7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione|8-Ethyl-7,8,9,10-tetrahydro-1,8,11-trihydroxy-10-((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)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (8S-cis)-|8-Ethyl-7,8,9,10-tetrahydro-1,8,11-trihydroxy-10-((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)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (8S-trans)-|3-Ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranoside|AKA

Molecular Formula	C40H51NO13
Molecular Weight	753.33606 g/mol
LogP	3.7
Topological Polar Surface Area	191.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	753.33606
Monoisotopic Mass	753.33606
Heavy Atoms	54
Complexity	1380.0

Chemical Identifiers

CAS Number	76741-55-4
SMILES	CCC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O
InChIKey	OXPCRXLITLBLEY-UHFFFAOYSA-N