(Q105244525)

English

Digilanatoside A

chemical compound

In more languages

Statements

type of chemical entity

0 references

[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

846.258243872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₆O₂₀

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canonical SMILES

O=C(OCC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(CO)C2OC(=O)C=CC4=CC=C(O)C(O)=C4)C(O)C(O)C1O)C=CC5=CC(OC)=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](OCCc4ccc(O)c(O)c4)O[C@H](CO)[C@H]3OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O

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Digitalis lanata

1 reference

Phenylethyl Glycosides fromDigitalis lanata

Identifiers

InChI=1S/C40H46O20/c1-53-26-15-21(16-27(54-2)32(26)48)6-9-30(46)56-18-29-33(49)34(50)35(51)40(58-29)60-38-36(52)39(55-12-11-20-4-8-23(43)25(45)14-20)57-28(17-41)37(38)59-31(47)10-5-19-3-7-22(42)24(44)13-19/h3-10,13-16,28-29,33-45,48-52H,11-12,17-18H2,1-2H3/b9-6+,10-5+/t28-,29-,33-,34+,35-,36-,37-,38-,39-,40+/m1/s1

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RSBQDFPUDMBHLI-DEYYYDLQSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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