Roseorubicin B

10-[4-(dimethylamino)-5-[4-(dimethylamino)-5-hydroxy-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: Roseorubicin B|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-4-O-(2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-trans)-|10-[4-(dimethylamino)-5-[4-(dimethylamino)-5-hydroxy-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|10-(4-(dimethylamino)-5-(4-(dimethylamino)-5-hydroxy-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|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-[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]hexopyranoside

Molecular Formula	C36H48N2O11
Molecular Weight	684.3258 g/mol
LogP	3.7
Topological Polar Surface Area	179.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	684.3258
Monoisotopic Mass	684.3258
Heavy Atoms	49
Complexity	1210.0

Chemical Identifiers

CAS Number	70559-01-2
SMILES	CCC1(CCC2=C(C1OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)O)N(C)C)N(C)C)C(=C5C(=C2O)C(=O)C6=C(C5=O)C=CC=C6O)O)O
InChIKey	ARWQKOSWMQNCLS-UHFFFAOYSA-N