CG 11

(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: alpha(sub 2)-Rhodomycinone RDC|CG 11|CG-11|(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,4,6,7,8,10-pentahydroxy-7-((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)-, (7R-(7-alpha,8-beta,10-beta))-|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,8,10-pentahydroxy-7-((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)-, (7R-(7alpha,8beta,10beta))-|(1R,2R,4S)-2-Ethyl-2,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside|(7R)-8-Ethyl-7,8,9,10-tetrahydro-1,4,6,8alpha,10alpha-pentahydroxy-7beta-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2beta-yl]-alpha-L-lyxo-hexopyranosyl]-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione|(7R,8R,10S)-7-{[(2S,4S,5S,6S)-4-(DIMETHYLAMINO)-5-{[(2S,4S,5S,6S)-4-HYDROXY-6-METHYL-5-{[(2R,6S)-6-METHYL-5-OXOOXAN-2-YL]OXY}OXAN-2-YL]OXY}-6-METHYLOXAN-2-YL]OXY}-8-ETHYL-1,4,6,8,10-PENTAHYDROXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE|2-Ethyl-2,4,7,10,12-pentahydroxy-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|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,8,10-pentahydroxy-7-((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(7R-(7alpha,8beta,10beta))-

Molecular Formula	C40H51NO15
Molecular Weight	785.32587 g/mol
LogP	2.8
Topological Polar Surface Area	231.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	785.32587
Monoisotopic Mass	785.32587
Heavy Atoms	56
Complexity	1450.0

Chemical Identifiers

CAS Number	86944-87-8
SMILES	CC[C@]1(C[C@@H](C2=CC3=C(C(=C2[C@H]1O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6CCC(=O)[C@@H](O6)C)O)N(C)C)O)C(=O)C7=C(C=CC(=C7C3=O)O)O)O)O
InChIKey	LNGMTVYKVHWMNN-RUBOWPBISA-N