Molecule ID: 134160273

IUPAC Name: [(2S)-2-acetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] acetate

Description: The molecule is a 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both acetyl. A synthetic acyl homologue of the beta-glycolipid antigens (beta-GGLs) of Mycoplasma pneumoniae.

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

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

InChI: InChI=1S/C19H32O15/c1-7(21)29-4-9(32-8(2)22)5-30-18-17(28)15(26)13(24)11(34-18)6-31-19-16(27)14(25)12(23)10(3-20)33-19/h9-20,23-28H,3-6H2,1-2H3/t9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 231.0 Ų
- LogP: -4.4