1-Hydroxy-MA-144-N1

methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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: Rhodirubin A|Pentasilver|1-Hydroxy-MA-144-N1|MA144 N2|HY-N14617|1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-0-(2,6-dideoxy-4-O-((2S-(2-alpha,5-beta,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-|methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,|(1R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2alpha,5,7,10-tetrahydroxy-6,11-dioxo-4alpha-[[4-O-[2,6-dideoxy-4-O-[(2S)-tetrahydro-5alpha-hydroxy-6alpha-methyl-2H-pyran-2beta-yl]-alpha-L-lyxo-hexopyranosyl]-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-1beta-naphthacenecarboxylic acid methyl ester|(1R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2alpha,5,7,10-tetrahydroxy-6,11-dioxo-4alpha-[[4-O-[4-O-[(2S)-tetrahydro-5alpha-hydroxy-6alpha-methyl-2H-pyran-2beta-yl]-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl]-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-1beta-naphthacenecarboxylic acid methyl ester|methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4S,5S,6S)-4-hydroxy-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Molecular Formula	C42H55NO16
Molecular Weight	829.3521 g/mol
LogP	4.0
Topological Polar Surface Area	240.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	17
Rotatable Bonds	10
Exact Mass	829.3521
Monoisotopic Mass	829.3521
Heavy Atoms	59
Complexity	1520.0

Chemical Identifiers

CAS Number	64253-73-2
SMILES	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)O)N(C)C)O
InChIKey	WGXOAYYFWFRVSV-JEGHDPRDSA-N