Molecule ID: 52921601

IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Description: The molecule is a disaccharide derivative consisting of two D-galactose residues linked (1->4), feruloylated at O-6 of the residue at the non-reducing end.

SMILES: COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)ccc1O

SELFIES: [C][O][C][=C][C][Branch2][Ring2][S][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Branch1][C][O][O][C@@H1][Ring1][=Branch2][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][=C][C][=C][Ring2][Ring1][P][O]

InChI: InChI=1S/C22H30O14/c1-32-11-6-9(2-4-10(11)24)3-5-14(25)33-8-13-15(26)16(27)19(30)22(35-13)36-20-12(7-23)34-21(31)18(29)17(20)28/h2-6,12-13,15-24,26-31H,7-8H2,1H3/b5-3+/t12-,13-,15+,16+,17-,18-,19-,20+,21?,22+/m1/s1

Molecular Properties:
- Polar Surface Area: 225.0 Ų
- LogP: -3.0