Molecule ID: 54445

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

Description: The molecule is a tetrahydroxyindolizidine alkaloid that consists of octahydroindolizine having four hydroxy substituents located at positions 1, 6, 7 and 8 (the 1S,6S,7R,8R,8aR-diastereomer). It has a role as a metabolite, an anti-HIV-1 agent, an anti-inflammatory agent and an EC 3.2.1.* (glycosidase) inhibitor.

SMILES: O[C@H]1[C@H](O)[C@@H](O)CN2CC[C@H](O)[C@H]12

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

InChI: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1

Molecular Properties:
- Polar Surface Area: 84.2 Ų
- LogP: -2.2