Molecule ID: 71627271

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

Description: The molecule is a pentasaccharide derivative consisting of an alpha-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-2 an alpha-L-rhamnosyl-(1->3)-[alpha-L-rhamnosyl-(1->3)-beta-D-glucosyl-(1->4)]-alpha-D-glucosyl branched tetrasaccharide unit It is a pentasaccharide derivative and a glycoside.

SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@@H](O[C@H]4[C@@H](OCCCCCN)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C35H63NO24/c1-11-16(40)20(44)23(47)31(52-11)58-28-19(43)14(9-38)54-33(25(28)49)57-27-15(10-39)56-34(26(50)29(27)59-32-24(48)21(45)17(41)12(2)53-32)60-30-22(46)18(42)13(8-37)55-35(30)51-7-5-3-4-6-36/h11-35,37-50H,3-10,36H2,1-2H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20+,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,32-,33-,34+,35-/m0/s1

Molecular Properties:
- Polar Surface Area: 402.0 Ų
- LogP: -7.8