Molecule ID: 53477590

IUPAC Name: 6-[(3R,4R,5S,6R)-3-acetamido-5-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid

Description: The molecule is a glycoside that consists of alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-D-glucosamine in which the hydrogen at the reducing end is substituted by a carboxypentyl group. It is a glycoside, a monocarboxylic acid and a trisaccharide derivative.

SMILES: CC(O)=N[C@H]1C(OCCCCCC(=O)O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O

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

InChI: InChI=1S/C26H45NO18/c1-10(31)27-15-18(36)22(13(9-30)43-24(15)40-6-4-2-3-5-14(32)33)44-26-21(39)23(17(35)12(8-29)42-26)45-25-20(38)19(37)16(34)11(7-28)41-25/h11-13,15-26,28-30,34-39H,2-9H2,1H3,(H,27,31)(H,32,33)/t11-,12-,13-,15-,16+,17+,18-,19+,20-,21-,22-,23+,24?,25-,26-/m1/s1

Molecular Properties:
- Polar Surface Area: 304.0 Ų
- LogP: -5.2