Molecule ID: 131801213

IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-2-(5-aminopentoxy)-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Description: The molecule is a linear tetrasaccharide derivative consisting of an alpha-L-rhamnosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 an alpha-D-glucuronosyl-(1->6)-alpha-D-glucosyl-(1->2)-alpha-L-rhamnosyl trisaccharide unit. It is a tetrasaccharide derivative and a glycoside.

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

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

InChI: InChI=1S/C29H51NO20/c1-9-12(31)17(36)24(29(46-9)48-22-13(32)10(2)45-27(21(22)40)43-7-5-3-4-6-30)50-28-20(39)15(34)14(33)11(47-28)8-44-26-19(38)16(35)18(37)23(49-26)25(41)42/h9-24,26-29,31-40H,3-8,30H2,1-2H3,(H,41,42)/t9-,10-,11+,12-,13-,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24+,26-,27+,28+,29-/m0/s1

Molecular Properties:
- Polar Surface Area: 340.0 Ų
- LogP: -8.3