Molecule ID: 485851

IUPAC Name: (1R,2S,4R,5R,8R,9S,11R)-2-[[(2R,3S,4S,5S,6R)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-9-formyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

Description: The molecule is an antifungal metabolite of Sordaria araneosa that inhibits protein synthesis. It has a tetracyclic diterpene glycoside structure. It has a role as a protein synthesis inhibitor and an antifungal agent. It is a glycoside, a tetracyclic diterpenoid and a monosaccharide derivative.

SMILES: CO[C@H]1[C@@H](O)[C@H](O)[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)O[C@@H]1C

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

InChI: InChI=1S/C27H40O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h8,11,13-18,20-23,29-30H,6-7,9-10,12H2,1-5H3,(H,31,32)/t14-,15-,16+,17-,18-,20+,21+,22-,23-,25+,26+,27+/m1/s1

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 1.5