Molecule ID: 52921605

IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-3-acetamido-6-[[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Description: The molecule is a galactosamine oligosaccharide consisting of three (1->6)-linked N-acetyl-beta-D-galactosamine units with two beta-D-glucuronosyl residues attached at the 3- and 3'-positions. It is an amino pentasaccharide and a galactosamine oligosaccharide.

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

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

InChI: InChI=1S/C36H57N3O28/c1-7(41)37-13-19(47)16(44)10(4-40)62-33(13)59-6-12-18(46)27(65-36-25(53)21(49)23(51)29(67-36)31(56)57)15(39-9(3)43)34(63-12)60-5-11-17(45)26(14(32(58)61-11)38-8(2)42)64-35-24(52)20(48)22(50)28(66-35)30(54)55/h10-29,32-36,40,44-53,58H,4-6H2,1-3H3,(H,37,41)(H,38,42)(H,39,43)(H,54,55)(H,56,57)/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20+,21+,22+,23+,24-,25-,26-,27-,28+,29+,32-,33-,34-,35-,36-/m1/s1

Molecular Properties:
- Polar Surface Area: 488.0 Ų
- LogP: -9.6