(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]oxy}butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol



Compound number:
MolPort-020-006-023
CAS number: 148244-82-0; 158932-33-3
IUPAC:
(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]oxy}butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC traditional:
secoisolariciresinol diglucoside
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 |r|
InChI key:
SBVBJPHMDABKJV-PGCJWIIOSA-N
Molecular formula:
C32H46O16
Molecular weight: 686.704
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-020-006-023
CAS number: 148244-82-0; 158932-33-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000067940726
MFCD03427692
(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediyl bis-?-D-glucopyranoside
Lignans
rac Secoisolariciresinol Diglucoside
(R,R)-SDG (R,R)-LGM2605
SDG
Secoisolariciresinol Diglucoside

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
InChI key: SBVBJPHMDABKJV-PGCJWIIOSA-N

Calculated Properties
Molecular formula: C32H46O16
Molecular weight: 686.704

Other

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