N-Monodemethyl-1-deoxypyrromycin

methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Also Known As: N-Monodemethyl-1-deoxypyrromycin|N-Demethyl-1-deoxypyrromycin|1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-3-amino-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-|(1R)-1,2,3,4,6,11-Hexahydro-4alpha-[[3-(methylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-6,11-dioxo-2-ethyl-2alpha,5,7-trihydroxy-1beta-naphthacenecarboxylic acid methyl ester|methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|METHYL (1R,2R,4S)-2-ETHYL-2,5,7-TRIHYDROXY-4-{[(2R,4S,5S,6S)-5-HYDROXY-6-METHYL-4-(METHYLAMINO)OXAN-2-YL]OXY}-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE|methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(methylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|Methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(methylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Molecular Formula	C29H33NO10
Molecular Weight	555.21045 g/mol
LogP	2.6
Topological Polar Surface Area	172.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	6
Exact Mass	555.21045
Monoisotopic Mass	555.21045
Heavy Atoms	40
Complexity	992.0

Chemical Identifiers

CAS Number	65222-75-5
SMILES	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC)O
InChIKey	QLQYUKMHHYPNOK-YTGURXTNSA-N