Compound: Secoisolariciresinol diglucoside
SMILES: O1[C@@H](OC[C@@H]([C@H](CO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)Cc3cc(OC)c(O)cc3)Cc4cc(OC)c(O)cc4)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
InChIKey: SBVBJPHMDABKJV-PGCJWIIOSA-N
Synonyms: Secoisolariciresinol diglucoside, 158932-33-3, (R,R)-Secoisolariciresinol diglucoside, Bmhb-diglc, T9281L29MV, DTXSID40432760, (2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2,3-Bis(3-methoxy-4-hydroxybenzyl)butane-1,4-diol 1,4-diglucoside, (2R,3R)-2,3-Bis((4-hydroxy-3-methoxyphenyl)methyl)-1,4-butanediyl bis-beta-D-glucopyranoside, (2R,3R)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediyl bis-beta-D-glucopyranoside, (2R,3R,4S,5S,6R)-2-((2R,3R)-2,3-bis((4-hydroxy-3-methoxyphenyl)methyl)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, RefChem:48578, DTXCID60383588, 148244-82-0, Secoisolarisiresinol diglucoside, Secoisolariciresinol-Diglucoside, C32H46O16, (2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-(((2R,3R)-2,3-Bis(4-hydroxy-3-methoxybenzyl)butane-1,4-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol), rac Secoisolariciresinol Diglucoside, beta-D-Glucopyranose diglycoside with (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediol, SDG, Secoisolariciresinol diglycoside, Secoisolariciresinol Diglycoside, Seco-Isolariciresinol Diglycoside, MFCD03427692, Secoisolariciresinol hydrochloride, (R,R)-SDG; (R,R)-LGM2605, FlaxseedLigans(SDG), (R,R)-SDG, orb573046, SecoisolariciresinolDiglucoside, UNII-T9281L29MV, orb1304222, orb2893460, CHEMBL2425486, SCHEMBL16307898, SCHEMBL29360831, Secoisolariciresinol Diglucoside?, HY-N6937R, HY-N6937, IGA93233, s3780, AKOS030573403, CCG-270376, AC-34917, DA-67514, MS-31118, CS-0100998, E1451, C22584, (R,R)-Secoisolariciresinol diglucoside (Standard), Q4161320, BRD-K77320845-001-01-2, 8R,8'R-secoisolariciresinol-9,9'-di-O-beta-D-glucoside, (2R,3R)-2,3-BIS((4-HYDROXY-3-METHOXYPHENYL)METHYL)-1,4-BUTANEDIYL BIS-.BETA.-D-GLUCOPYRANOSIDE, (2R,3R)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediyl bis-|_-D-glucopyranoside, (2R,3R)-3-[(beta-D-Glucopyranosyloxy)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butyl beta-D-glucopyranoside, (2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxy-phenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol, .BETA.-D-GLUCOPYRANOSIDE, (2R,3R)-2,3-BIS((4-HYDROXY-3-METHOXYPHENYL)METHYL)-1,4-BUTANEDIYL BIS-, |_-D-Glucopyranose diglycoside with (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediol
Theoretical properties:
molecular_formula: C32H46O16
molecular_weight: 686.7 g/mol
exact_mass: 686.27858538 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 10
hydrogen_bond_acceptor_count: 16
rotatable_bond_count: 15
heavy_atom_count: 48
topological_polar_surface_area: 258 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Secoisolariciresinol diglucoside (SDG)  is an antioxidant phytoestrogen present in flax, sunflower, sesame, and pumpkin seeds. In food, it can be found in commercial breads containing flaxseed. It is a precursor of mammal lignans  which are produced in the colon from chemicals in foods.