Molecule ID: 6915777

IUPAC Name: (1R,2S,4R,5R,8R,9S,11S)-2-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-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 a tetracyclic diterpenoid that is a semisynthetic analogue of sordadin. It has a tetracyclic diterpene glycoside structure. It has a role as an antifungal agent and a protein synthesis inhibitor. It is a glycoside, a monosaccharide derivative, a tetracyclic diterpenoid and a semisynthetic derivative. It derives from a sordarin.

SMILES: CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@]13C(=O)O

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

InChI: InChI=1S/C29H42O7/c1-15(2)21-9-18-11-27(13-30)20-8-7-16(3)19(20)12-28(18,29(21,27)25(31)32)14-33-23-10-22-24(17(4)34-23)36-26(5,6)35-22/h9,13,15-20,22-24H,7-8,10-12,14H2,1-6H3,(H,31,32)/t16-,17-,18-,19-,20-,22+,23-,24-,27+,28+,29+/m1/s1

Molecular Properties:
- Polar Surface Area: 91.3 Ų
- LogP: 3.5