Molecule ID: 134160277

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

Description: The molecule is a linear tetrasaccharide derivative consisting of beta-D-galactose, alpha-D-galactose, beta-L-rhamnose and beta-D-glucose residues linked sequentially (1->2), (1->3) and (1->4), with the glucose residue linked glycosidically to a 5-aminopentyl group. It is a tetrasaccharide derivative and a glycoside.

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

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

InChI: InChI=1S/C29H53NO20/c1-10-14(34)24(22(42)28(44-10)48-23-13(9-33)47-26(21(41)19(23)39)43-6-4-2-3-5-30)49-29-25(18(38)16(36)12(8-32)46-29)50-27-20(40)17(37)15(35)11(7-31)45-27/h10-29,31-42H,2-9,30H2,1H3/t10-,11+,12+,13+,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27-,28+,29+/m0/s1

Molecular Properties:
- Polar Surface Area: 343.0 Ų
- LogP: -6.8