Molecule ID: 122846

IUPAC Name: 7-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,6,9,10-tetrahydroxy-1,8-dimethoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione

Description: The molecule is an anthracycline antibiotic isolated from the culture broth of Nocardia sp. MJ896-43F17. It exhibits significant antimycobacterial activity against several drug-resistant Mycobacterium smegmatis strains. It has a role as an antimycobacterial drug. It is an anthracycline antibiotic, an aminoglycoside, a deoxy hexoside, an aromatic ether and a tertiary amino compound.

SMILES: COc1ccc(O)c2c1C(=O)c1cc3c(c(O)c1C2=O)C(OC1CC(C)(N(C)C)C(O)C(C)O1)C(OC)C(C)(O)C3O

SELFIES: [C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][N][=O][C][Branch2][Ring1][#Branch2][O][C][C][C][Branch1][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][O][C][Branch1][C][C][O][Ring1][N][C][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][C][O][C][Ring2][Ring1][N][O]

InChI: InChI=1S/C30H37NO11/c1-12-26(36)29(2,31(4)5)11-17(41-12)42-25-19-14(27(37)30(3,38)28(25)40-7)10-13-18(23(19)34)24(35)20-15(32)8-9-16(39-6)21(20)22(13)33/h8-10,12,17,25-28,32,34,36-38H,11H2,1-7H3

Molecular Properties:
- Polar Surface Area: 175.0 Ų
- LogP: 1.0