Molecule ID: 131801212

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

Description: The molecule is a tetrasaccharide derivative consisting of an alpha-L-rhamnosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a beta-L-rhamnosyl-(1->4)-beta-D-glucosyl-(1->3)-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](O)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@H](C)O[C@@H](OCCCCCN)[C@@H]4O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C29H53NO18/c1-10-14(32)17(35)19(37)27(43-10)46-23-13(9-31)45-28(20(38)18(23)36)47-25-16(34)12(3)44-29(22(25)40)48-24-15(33)11(2)42-26(21(24)39)41-8-6-4-5-7-30/h10-29,31-40H,4-9,30H2,1-3H3/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: 302.0 Ų
- LogP: -5.8