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SDG

CAT: 0013-GTR19243031-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243031-01Size:50 mg
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Description
SDG is a natural small molecule compound for life sciences research. It is widely used in both in vitro and in vivo studies, particularly in research areas such as metabolic regulation, oxidative stress, and inflammation, as supported by scientific literature.
CAS Number
148244-82-0
Smiles
COc1cc (C[C@@H] (CO[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) [C@H] (CO[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) Cc2ccc (O) c (OC) c2) ccc1O
Molecular Formula
C32H46O16
Molecular Weight
686.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Secoisolariciresinol Diglucoside

secoisolariciresinol diglucoside has been reported in Linum usitatissimum with data available.

CAS Number148244-82-0
PubChem CID9917980
IUPAC Name(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
Molecular FormulaC32H46O16
Molecular Weight686.7
XLogP-0.7
Topological Polar Surface Area258
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Heavy Atom Count48
Formal Charge0
Complexity861
SMILES
COC1=C(C=CC(=C1)C[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H](CC3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1
InChIKey
SBVBJPHMDABKJV-PGCJWIIOSA-N
Chemical Structure
2D Structure
2D structure of Secoisolariciresinol Diglucoside
CAS: 148244-82-0
CID: 9917980
Formula: C32H46O16
MW: 686.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight686.7
XLogP3-0.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Exact Mass686.27858538
Monoisotopic Mass686.27858538
Topological Polar Surface Area258 Ų
Heavy Atom Count48
Formal Charge0
Complexity861
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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