14-Pentyl-14-thiaadriamycin

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

Also Known As: 14-Pentyl-14-thiaadriamycin|3,5,12-Trihydroxy-10-methoxy-6,11-dioxo-3-[(pentylsulfanyl)acetyl]-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside|5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((pentylthio)acetyl)-, (8S-cis)-|7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-pentylsulfanylacetyl)-8,10-dihydro-7H-tetracene-5,12-dione

Molecular Formula	C32H39NO10S
Molecular Weight	629.2295 g/mol
LogP	3.8
Topological Polar Surface Area	211.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	629.2295
Monoisotopic Mass	629.2295
Heavy Atoms	44
Complexity	1060.0

Chemical Identifiers

CAS Number	83291-65-0
SMILES	CCCCCSCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O
InChIKey	WCMBGDLJQWWOOF-UHFFFAOYSA-N