MA 144-A1
AlkaPlorer ID: AK011034
Synonym: 'Aclacinomycin A1', 'Jaclacin', 'ACLACINOMYCIN A', 'Antibiotic 3082A', 'Aclarubicin', 'Aclacinomycin A', 'Aclacur', 'Antibiotic MA 144A1', 'NSC 208734', 'Aclacinomycin', 'aclacinomycin', 'Aclucinomycin A', 'Antibiotic 77-3082A', 'Antibiotic MA144-A1'
IUPAC Name: methyl (1R,2R,4S)-4-[(2S,4S,5R,6R)-4-(dimethylamino)-5-[(2R,4S,5R,6R)-4-hydroxy-6-methyl-5-[(2S,6R)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Structure
SMILES: CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@@H](O[C@@H]3C[C@H](O)[C@@H](O[C@@H]4CCC(=O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=CC=CC(O)=C1C3=O
InChI: InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24+,27+,28+,29-,30-,31-,35+,39+,40+,42-/m1/s1
InChIKey: USZYSDMBJDPRIF-BPWNKYCOSA-N
Source
Properties Information
Molecule Weight: 811.8780000000002
TPSA？: 217.05
MolLogP？: 3.1577000000000024
Number of H-Donors: 4
Number of H-Acceptors: 16
RingCount: 7
Activities Information
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