(Q105132121)

English

4-[(2S)-2alpha-[3,5-Dimethoxy-4-(beta-D-glucopyranosyloxy)phenyl]-3alpha,4beta-bis(hydroxymethyl)tetrahydrofuran-5beta-yl]-2,6-dimethoxyphenol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-[5-(4-Hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

598.226155896 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4S,5S,6R)-2-[4-[(2S,3R,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4S,5R,6R)-2-[4-[(2R,3S,4S,5R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₁₄

0 references

canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2OC(C3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4O)C(OC)=C3)C(CO)C2CO

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isomeric SMILES

COc1cc([C@H]2O[C@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H](CO)[C@H]2CO)cc(OC)c1O

0 references

found in taxon

Phagnalon rupestre

1 reference

stated in

Phenolic glycosides from Phagnalon rupestre.

Identifiers

InChI

InChI=1S/C28H38O14/c1-36-16-5-12(6-17(37-2)21(16)32)25-14(9-29)15(10-30)26(41-25)13-7-18(38-3)27(19(8-13)39-4)42-28-24(35)23(34)22(33)20(11-31)40-28/h5-8,14-15,20,22-26,28-35H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25-,26-,28+/m1/s1

0 references

InChIKey

JNTVMSUGCQQJNZ-UVUHDAHQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JNTVMSUGCQQJNZ-UVUHDAHQSA-N

1 reference

(Q105132121)

4-[(2S)-2alpha-[3,5-Dimethoxy-4-(beta-D-glucopyranosyloxy)phenyl]-3alpha,4beta-bis(hydroxymethyl)tetrahydrofuran-5beta-yl]-2,6-dimethoxyphenol

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