Molecule ID: 70697984

IUPAC Name: 3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid

Description: The molecule is a monosaccharide derivative of platensimycin isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage, a member of phenols, a monosaccharide derivative, a monocarboxylic acid, an aromatic amide and a monocarboxylic acid amide. It derives from a platensimycin.

SMILES: C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(O)=Nc5c(O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2

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

InChI: InChI=1S/C30H37NO12/c1-28(18(33)5-8-30-10-13-9-16(25(28)30)43-29(13,2)12-30)7-6-19(34)31-20-15(4-3-14(21(20)35)26(39)40)41-27-24(38)23(37)22(36)17(11-32)42-27/h3-5,8,13,16-17,22-25,27,32,35-38H,6-7,9-12H2,1-2H3,(H,31,34)(H,39,40)/t13-,16+,17+,22+,23-,24+,25+,27+,28-,29+,30+/m1/s1

Molecular Properties:
- Polar Surface Area: 212.0 Ų
- LogP: 0.5