Molecule ID: 121232682

IUPAC Name: [(3R,4S,5R,6S)-6-[8-chloro-4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 1H-pyrrole-2-carboxylate

Description: The molecule is a hydroxycoumarin antibiotic with formula C34H35ClN2O11, that is produced by Streptomyces roseochromogenes It has a role as an antimicrobial agent and a bacterial metabolite. It is a hexoside, a hydroxycoumarin, a monosaccharide derivative, a member of benzamides, an organochlorine compound, a member of pyrroles, an ether and a member of phenols.

SMILES: CO[C@@H]1[C@@H](OC(=O)c2ccc[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C

SELFIES: [C][O][C@@H1][C@@H1][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][O][C@H1][Branch2][Branch1][Branch1][O][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][Cl][O][C][Ring2][Ring2][N][Branch1][C][C][C]

InChI: InChI=1S/C34H35ClN2O11/c1-16(2)8-9-17-15-18(10-12-21(17)38)30(41)37-24-25(39)19-11-13-22(23(35)27(19)46-32(24)43)45-33-26(40)28(29(44-5)34(3,4)48-33)47-31(42)20-7-6-14-36-20/h6-8,10-15,26,28-29,33,36,38-40H,9H2,1-5H3,(H,37,41)/t26-,28+,29-,33-/m1/s1

Molecular Properties:
- Polar Surface Area: 186.0 Ų
- LogP: 4.9