Molecule ID: 56683730

IUPAC Name: (1R,2S,5S,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone

Description: The molecule is a physalin with antimalarial activity isolated from Physalis angulata. It has a role as an antimalarial. It is an enone, a 6alpha-hydroxy steroid, a lactone, an organic heteroheptacyclic compound and a physalin.

SMILES: C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4

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

InChI: InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1

Molecular Properties:
- Polar Surface Area: 146.0 Ų
- LogP: -0.2