Molecule ID: 11755172

IUPAC Name: (1S,2E,4E,6S,7R,8Z,13R,16R,17S,20S,21R,22R)-7,21-dihydroxy-6,13,16,20,24-pentamethyl-15-oxo-14-oxatricyclo[14.8.0.017,22]tetracosa-2,4,8,23-tetraene-8-carboxylic acid

Description: The molecule is a 16-membered macrolide which exhibits strong and specific antimicrobial activities against rapid-growing Mycobacteria including drug-resistant strains. It is isolated from the culture broth of Nocardia sp.MK703-102F1 It has a role as a metabolite, an antimicrobial agent and an antitubercular agent. It is a macrolide, a monocarboxylic acid and a secondary alcohol.

SMILES: CC1=C[C@H]2[C@H](O)[C@@H](C)CC[C@@H]2[C@@]2(C)C(=O)O[C@H](C)CCC/C=C(\C(=O)O)[C@H](O)[C@@H](C)/C=C/C=C/[C@@H]12

SELFIES: [C][C][=C][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Ring1][Branch2][C@@][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][C][C][/C][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][/C][=C][/C@@H1][Ring2][Ring2][C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C29H42O6/c1-17-10-6-9-13-23-19(3)16-22-24(15-14-18(2)26(22)31)29(23,5)28(34)35-20(4)11-7-8-12-21(25(17)30)27(32)33/h6,9-10,12-13,16-18,20,22-26,30-31H,7-8,11,14-15H2,1-5H3,(H,32,33)/b10-6+,13-9+,21-12-/t17-,18-,20+,22+,23-,24-,25+,26+,29-/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 5.4