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SDG

CAT: 0931-TN8567-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8567-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
148244-82-0
Bioactivity
SDG is a natural product that can be used in related research in the field of life sciences. Its product number is TN8567.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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