1-Hydroxy-13-dihydrodaunomycin

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-1,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: 1-Hydroxy-13-dihydrodaunomycin|7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-1,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-9-(1-hydroxyethyl)-4-methoxy-1,6,9,11-tetrahydroxy-|5,12-Naphthacenedione, 7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-4-methoxy-|3,5,7,12-Tetrahydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside

Molecular Formula	C27H31NO11
Molecular Weight	545.1897 g/mol
LogP	1.4
Topological Polar Surface Area	209.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	4
Exact Mass	545.1897
Monoisotopic Mass	545.1897
Heavy Atoms	39
Complexity	951.0

Chemical Identifiers

CAS Number	74273-36-2
SMILES	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)OC)O)O)(C(C)O)O)N)O
InChIKey	BYWXYBOMWRGTBD-UHFFFAOYSA-N