Molecule ID: 51351695

IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methyl 15-(ethyldisulfanyl)pentadecanoate

Description: The molecule is a beta-D-galactoside comprising phenyl beta-D-galactoside having a 15-(ethyldisulfanyl)pentadecanoyl group attached at the 6-position. It is a beta-D-galactoside, an organic disulfide and a monosaccharide derivative.

SMILES: CCSSCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O

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

InChI: InChI=1S/C29H48O7S2/c1-2-37-38-21-17-12-10-8-6-4-3-5-7-9-11-16-20-25(30)34-22-24-26(31)27(32)28(33)29(36-24)35-23-18-14-13-15-19-23/h13-15,18-19,24,26-29,31-33H,2-12,16-17,20-22H2,1H3/t24-,26+,27+,28-,29-/m1/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 6.7