Molecule ID: 70678901

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

Description: The molecule is a branched pentasaccharide comprised of an alpha-D-glucosyl-(1->4)-beta-D-glucosyl-(1->4)-alpha-D-mannosyl-(1->2)-alpha-D-mannose tetrasaccharide chain, on to the non-reducing mannosyl residue of which is attached an abequosyl residue via a (1->3) linkage.

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

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

InChI: InChI=1S/C30H52O24/c1-7-8(35)2-9(36)27(46-7)53-24-21(44)30(54-25-17(40)15(38)10(3-31)47-26(25)45)50-13(6-34)23(24)52-29-20(43)18(41)22(12(5-33)49-29)51-28-19(42)16(39)14(37)11(4-32)48-28/h7-45H,2-6H2,1H3/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-/m1/s1

Molecular Properties:
- Polar Surface Area: 387.0 Ų
- LogP: -8.6