Molecule ID: 119058133

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

Description: The molecule is a branched tetrasaccharide derivative consisting of an alpha-D-mannosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-2 an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and at O-4 a beta-D-galactosyl residue. It is a tetrasaccharide derivative and a glycoside.

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

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

InChI: InChI=1S/C29H53NO21/c30-4-2-1-3-5-44-28-25(22(43)23(13(9-34)48-28)49-26-20(41)17(38)14(35)10(6-31)45-26)51-29-24(19(40)16(37)12(8-33)47-29)50-27-21(42)18(39)15(36)11(7-32)46-27/h10-29,31-43H,1-9,30H2/t10-,11-,12-,13-,14+,15-,16-,17+,18+,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-/m1/s1

Molecular Properties:
- Polar Surface Area: 363.0 Ų
- LogP: -7.3