Molecule ID: 139600847

IUPAC Name: [(2S,3R,4R,5R,6S)-5-acetyloxy-6-[(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-4-methoxy-2-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 2,4-di-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 tetrasaccharide derivative and a glycoside.

SMILES: CO[C@H]1[C@@H](OC(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)O[C@@H](C)[C@H]1OC(C)=O

SELFIES: [C][O][C@H1][C@@H1][Branch1][#Branch1][O][C][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][O][C@@H1][Branch1][C][C][C@H1][Ring2][Branch1][Branch1][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C36H61NO22/c1-14-21(43)29(31(53-17(4)41)35(50-14)57-27-22(44)19(12-38)55-33(24(27)46)49-11-9-7-8-10-37)59-34-25(47)28(23(45)20(13-39)56-34)58-36-32(54-18(5)42)30(48-6)26(15(2)51-36)52-16(3)40/h14-15,19-36,38-39,43-47H,7-13,37H2,1-6H3/t14-,15-,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-/m0/s1

Molecular Properties:
- Polar Surface Area: 330.0 Ų
- LogP: -3.4