Sabarubicin
(7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Molecular Identity
Sabarubicin
(7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID: 151897
2D Structure
Properties
C32H37NO13
Molecular Formula
643.60
Molecular Weight
g/mol
643.2265
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
236
TPSA
May have limited oral absorption
7
H-Bond Donors
14
H-Bond Acceptors
1170
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sabarubicin211100-13-9sabarubicinasabarubicineXS499WOZ93(7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dioneDTXSID308702334-demethoxy-7-O-(2,6-dideoxy-4-O-(2,3,6-trideoxy-3-amino-alpha-L-lyxo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)-adriamycinonesabarubicinum(7S,9S)-7-((2R,4S,5S,6S)-5-((2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione(7S,9S)-7-((4-O-(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-9-(hydroxyacetyl)-7,8,9,10-tetrahydrotetracene-5,12-dione(7S,9S)-7-{(4-O-(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy}-6,9,11-trihydroxy-9-(hydroxyacetyl)-7,8,9,10-tetrahydrotetracene-5,12-dioneBMS-195615RefChem:180742DTXCID30820839
Data from PubChem (NCBI)
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