Daunomycinone-S

9-acetyl-7-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: Daunomycinone-S|Daunomycinone S|7-O-(O-(2-Deoxy-alpha-L-fucosyl)-(1-4)-alpha-L-rhodosaminyl)daunomycinone|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-|3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-(2,6-dideoxyhexopyranosyl)-3-(dimethylamino)hexopyranoside|9-acetyl-7-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Molecular Formula	C35H43NO13
Molecular Weight	685.27344 g/mol
LogP	2.7
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	685.27344
Monoisotopic Mass	685.27344
Heavy Atoms	49
Complexity	1250.0

Chemical Identifiers

CAS Number	80930-61-6
SMILES	CC1C(C(CC(O1)OC2C(OC(CC2N(C)C)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)C)O)O
InChIKey	MRYGUWQBHYEANU-UHFFFAOYSA-N