Molecule ID: 91828198

IUPAC Name: N-[(2R,3S,4S,5S,6S)-5-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5R,6R)-5-formamido-4-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4,6-dihydroxy-2-methyloxan-3-yl]formamide

Description: The molecule is an amino nonasaccharide consisting of nine N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->2), (1->2), (1->3), (1->2), (1->2), (1->2) and (1->2).

SMILES: C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4[C@@H](O[C@@H]5[C@H](O)[C@@H](O[C@@H]6[C@@H](O[C@@H]7[C@@H](O[C@@H]8[C@@H](O[C@H]9[C@@H](O)[C@H](N=CO)[C@@H](C)O[C@@H]9O)O[C@H](C)[C@@H](N=CO)[C@@H]8O)O[C@H](C)[C@@H](N=CO)[C@@H]7O)O[C@H](C)[C@@H](N=CO)[C@@H]6O)O[C@H](C)[C@H]5N=CO)O[C@H](C)[C@@H](N=CO)[C@@H]4O)O[C@H](C)[C@@H](N=CO)[C@@H]3O)O[C@H](C)[C@@H](N=CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1N=CO

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

InChI: InChI=1S/C63H101N9O37/c1-19-29(65-11-74)38(83)48(55(92)93-19)103-59-52(42(87)33(69-15-78)22(4)97-59)107-63-54(44(89)35(71-17-80)26(8)101-63)109-61-50(40(85)31(67-13-76)24(6)99-61)105-57-46(91)47(36(72-18-81)27(9)95-57)102-58-51(41(86)32(68-14-77)21(3)96-58)106-62-53(43(88)34(70-16-79)25(7)100-62)108-60-49(39(84)30(66-12-75)23(5)98-60)104-56-45(90)37(82)28(64-10-73)20(2)94-56/h10-63,82-92H,1-9H3,(H,64,73)(H,65,74)(H,66,75)(H,67,76)(H,68,77)(H,69,78)(H,70,79)(H,71,80)(H,72,81)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1

Molecular Properties:
- Polar Surface Area: 641.0 Ų
- LogP: -10.7