Molecule ID: 131801210

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(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-6-(hydroxymethyl)oxane-3,4,5-triol

Description: The molecule is a trisaccharide derivative consisting of an alpha-L-rhamnosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl disaccharide unit. It is a trisaccharide 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](O[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][#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][Branch1][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][Ring2][Ring2][Ring2][O]

InChI: InChI=1S/C23H43NO14/c1-9-12(26)19(17(31)21(34-9)33-7-5-3-4-6-24)38-23-18(32)20(13(27)10(2)35-23)37-22-16(30)15(29)14(28)11(8-25)36-22/h9-23,25-32H,3-8,24H2,1-2H3/t9-,10-,11+,12-,13-,14+,15-,16+,17+,18+,19+,20+,21+,22-,23-/m0/s1

Molecular Properties:
- Polar Surface Area: 243.0 Ų
- LogP: -4.1