Secoisolariciresinol Diglucoside
(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 Identity
Secoisolariciresinol Diglucoside
(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
PubChem CID: 9917980
2D Structure
Properties
C32H46O16
Molecular Formula
686.70
Molecular Weight
g/mol
686.2786
Exact Mass
Da
-0.7
XLogP
Drug-like (Lipinski: < 5)
258
TPSA
May have limited oral absorption
10
H-Bond Donors
16
H-Bond Acceptors
861
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=CC(=C1)CC(COC2C(C(C(C(O2)CO)O)O)O)C(CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)OIsomeric SMILES
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)OSynonyms(20)
Secoisolariciresinol diglucoside158932-33-3(R,R)-Secoisolariciresinol diglucosideBmhb-diglcT9281L29MV2,3-Bis(3-methoxy-4-hydroxybenzyl)butane-1,4-diol 1,4-diglucosideDTXSID40432760DTXCID60383588(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(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-triolRefChem:48578148244-82-0Secoisolarisiresinol diglucoside
Data from PubChem (NCBI)
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Trials and conditions connected to Secoisolariciresinol Diglucoside
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