Antibiotic MA 144S2
AlkaPlorer ID: AK015065
Synonym: 'MA 144S2', '63710-09-8', 'Collinemycin', 'Antibiotic MA 144S2', '72598-49-3', 'NSC 219941', 'Musettamycin'
IUPAC Name: methyl (1R,2R,4S)-4-[(2S,4S,5R,6R)-5-[(2R,4S,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-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](C)O3)[C@@H](C)O2)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=C(O)C=CC(O)=C1C3=O
InChI: InChI=1S/C36H45NO14/c1-7-36(46)13-22(50-23-11-18(37(4)5)34(15(3)49-23)51-24-12-21(40)30(41)14(2)48-24)25-16(29(36)35(45)47-6)10-17-26(32(25)43)33(44)28-20(39)9-8-19(38)27(28)31(17)42/h8-10,14-15,18,21-24,29-30,34,38-41,43,46H,7,11-13H2,1-6H3/t14-,15-,18+,21+,22+,23-,24-,29+,30+,34+,36-/m1/s1
InChIKey: PXKJRTZJMGPOGS-JZJHUXBVSA-N
Source
Properties Information
Molecule Weight: 715.7490000000003
TPSA？: 221.98
MolLogP？: 1.7449
Number of H-Donors: 6
Number of H-Acceptors: 15
RingCount: 6
Activities Information
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