Molecule ID: 51683

IUPAC Name: (1S,2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol

Description: The molecule is an indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8. It has a role as an antineoplastic agent, an immunological adjuvant, an EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor and a plant metabolite.

SMILES: O[C@H]1[C@H]2[C@H](O)CCCN2C[C@H]1O

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

InChI: InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 63.9 Ų
- LogP: -1.3