Molecule ID: 70678750

IUPAC Name: (11S,15S,17S)-7,17-dihydroxy-5-[(11S,15S,17S)-7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl]-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione

Description: The molecule is an organic heterotetracyclic compound isolated from the culture broth of Micromonospora sp. SA-246. It exhibits potent antibacterial activity against several Gram-positive bacterial strains. It has a role as a metabolite and an antibacterial agent. It is a cyclic ether, an organic heterotetracyclic compound, a gamma-lactone, an organic hydroxy compound and a member of p-quinones.

SMILES: C[C@@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)c1cc(-c3cc(O)c4c(c3)C(=O)C3=C(C4=O)[C@@H]4OC(=O)C[C@@H]4O[C@]3(C)O)cc(O)c1C2=O

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

InChI: InChI=1S/C32H22O13/c1-9-20-23(30-16(42-9)7-18(35)43-30)28(39)21-12(26(20)37)3-10(5-14(21)33)11-4-13-22(15(34)6-11)29(40)24-25(27(13)38)32(2,41)45-17-8-19(36)44-31(17)24/h3-6,9,16-17,30-31,33-34,41H,7-8H2,1-2H3/t9-,16-,17-,30+,31+,32-/m0/s1

Molecular Properties:
- Polar Surface Area: 200.0 Ų
- LogP: 0.9