Rhodilunancin A

(9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: Rhodilunancin A|Cosmomycin A|Rhodilunanencin A|Retamycin E1|Antibiotic A-447C|TMF 518|TMF-518|A-447C|(9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-trans)-|(1R,2R)-2-Ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-4-O-[(2S,5S,6S)-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-alpha-L-lyxo-hexopyranoside|(7R,8R)-7-{[(2S,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,5S,6S)-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,8,11-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione|(7R,8R)-8-Ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-[[3-(dimethylamino)-4-O-[(2S,5alpha,6alpha)-tetrahydro-6-methyl-5-[[(2S,5alpha,6alpha)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-2H-pyran-2-yl]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione|(9R,10R)-10-((2S,4S,5S,6S)-4-(dimethylamino)-5-((2S,5S,6S)-5-((2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione|(9R,10R)-10-(4-(dimethylamino)-5-(5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Molecular Formula	C40H53NO13
Molecular Weight	755.3517 g/mol
LogP	4.9
Topological Polar Surface Area	194.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	755.3517
Monoisotopic Mass	755.3517
Heavy Atoms	54
Complexity	1340.0

Chemical Identifiers

CAS Number	96705-22-5
SMILES	CC[C@]1(CCC2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4CC[C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O
InChIKey	HBOXKYFBCPFWOK-RIYWTIGOSA-N