Molecule ID: 139600848

IUPAC Name: [(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5R,6S)-3-acetyloxy-2-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate

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

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

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

InChI: InChI=1S/C34H59NO21/c1-13-19(40)27(46-5)29(50-15(3)38)33(48-13)55-26-22(43)18(12-37)53-32(24(26)45)56-28-20(41)14(2)49-34(30(28)51-16(4)39)54-25-21(42)17(11-36)52-31(23(25)44)47-10-8-6-7-9-35/h13-14,17-34,36-37,40-45H,6-12,35H2,1-5H3/t13-,14-,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-/m0/s1

Molecular Properties:
- Polar Surface Area: 324.0 Ų
- LogP: -4.0