Molecule ID: 73359

IUPAC Name: (2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3,5-dimethyloxan-2-yl]propanoic acid

Description: The molecule is a polyether antibiotic that is isolated from cultures of a strain of Streptomyces albus. It has a role as an ionophore. It is a polyether antibiotic, a member of oxolanes, a cyclic hemiketal and a monocarboxylic acid.

SMILES: CC[C@@H]1O[C@@H]([C@]2(C)C[C@@H](C)[C@](O)([C@]3(C)CC[C@@H]([C@@H](O)[C@]4(O)O[C@H](C[C@@]5(O)O[C@@H]([C@@H](C)[C@H](O)C[C@@H]6O[C@H]([C@@H](C)C(=O)O)[C@@H](C)C[C@H]6C)CC[C@@H]5C)[C@@H](C)C[C@H]4C)O3)O2)CC[C@@]1(C)O

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

InChI: InChI=1S/C48H84O14/c1-13-38-43(10,53)18-17-39(58-38)44(11)23-30(7)48(56,62-44)45(12)19-16-35(59-45)41(50)47(55)29(6)21-26(3)37(61-47)24-46(54)28(5)14-15-34(60-46)31(8)33(49)22-36-25(2)20-27(4)40(57-36)32(9)42(51)52/h25-41,49-50,53-56H,13-24H2,1-12H3,(H,51,52)/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40+,41-,43-,44+,45+,46-,47-,48-/m1/s1

Molecular Properties:
- Polar Surface Area: 214.0 Ų
- LogP: 5.6