Molecule ID: 11686063

IUPAC Name: (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol

Description: The molecule is a cyclic tetrasaccharide constructed from four alpha-glucopyranosyl residues joined by alternate alpha-(1->6)- and alpha-(1->3)-linkages. It is a macrocycle and a tetrasaccharide. It derives from a nigerose and an isomaltose.

SMILES: OC[C@H]1O[C@@H]2OC[C@H]3O[C@H](O[C@@H]4[C@@H](O)[C@@H](OC[C@H]5O[C@H](O[C@H]([C@H]2O)[C@@H]1O)[C@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O

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

InChI: InChI=1S/C24H40O20/c25-1-5-11(29)19-17(35)21(39-5)37-3-7-9(27)14(32)16(34)24(42-7)44-20-12(30)6(2-26)40-22(18(20)36)38-4-8-10(28)13(31)15(33)23(41-8)43-19/h5-36H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-/m1/s1

Molecular Properties:
- Polar Surface Area: 317.0 Ų
- LogP: -7.5