Molecule ID: 51351735

IUPAC Name: (2S,3S,4R,5R,6R)-4,5-dihydroxy-3-methoxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylic acid

Description: The molecule is a pentasaccharide derivative composed of a 4-O-methyl-beta-D-glucuronic acid (at the non-reducing end) and four beta-D-galactose units all joined via (1->6)-linkages.

SMILES: CO[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC[C@H]4O[C@@H](OC[C@H]5OC(O)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)O[C@@H]1C(=O)O

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

InChI: InChI=1S/C31H52O27/c1-49-24-18(40)23(45)31(58-25(24)26(46)47)53-5-9-13(35)17(39)22(44)30(57-9)52-4-8-12(34)16(38)21(43)29(56-8)51-3-7-11(33)15(37)20(42)28(55-7)50-2-6-10(32)14(36)19(41)27(48)54-6/h6-25,27-45,48H,2-5H2,1H3,(H,46,47)/t6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+,25+,27?,28-,29-,30-,31-/m1/s1

Molecular Properties:
- Polar Surface Area: 433.0 Ų
- LogP: -10.9