Molecule ID: 118981773

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

Description: The molecule is an alpha-D-glucoside that is the 2-aminoethyl glycoside of a tetrasaccharide consisting of two beta-D-glucosyl residues, an alpha-D-glucosyl residue and (at the reducing end) an alpha-D-galactosyl residue, all linked sequentially (1->4). It is an alpha-D-galactoside and a tetrasaccharide derivative.

SMILES: NCCO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C26H47NO21/c27-1-2-41-23-17(38)13(34)20(8(4-29)43-23)47-25-19(40)15(36)22(10(6-31)45-25)48-26-18(39)14(35)21(9(5-30)44-26)46-24-16(37)12(33)11(32)7(3-28)42-24/h7-26,28-40H,1-6,27H2/t7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20+,21-,22-,23+,24+,25-,26+/m1/s1

Molecular Properties:
- Polar Surface Area: 363.0 Ų
- LogP: -9.4