secoisolariciresinol diglucoside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 91
Total Number of Articles : 56
PubChem 9917980
Molecular Formula

C32H46O16

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

synonyms
  • Secoisolariciresinol diglucoside
  • 158932-33-3
  • 148244-82-0
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Properties
Property Value
MW 686.7 g/mol
HBD 10
HBA 16
Rotatable Bond Count 15
Exact Mass 686.27858538 g/mol
Monoisotopic Mass 686.27858538 g/mol
Heavy Atom Count 48
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 861
xlogp -0.7
Topological Polar Surface Area 258