Hydroxyrubicin

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

Also Known As: Hydroxyrubicin|Hydroxydoxorubicin|3-DHD|3'-Deamino-3'-hydroxydoxorubicin|KST-1A8107|3'-deamino-4'-epi-3'-hydroxydoxorubin|(1s,3s)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl(3xi)-2,6-dideoxy-|A-l-threo-hexopyranoside|(7S,9S)-7-[(2R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 10-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-

Molecular Formula	C27H28O12
Molecular Weight	544.1581 g/mol
LogP	0.03
Topological Polar Surface Area	200.28 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	544.1581
Heavy Atoms	39
Complexity	1371.6

Chemical Identifiers

CAS Number	7595-97-3
SMILES	C[C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)O)O