(Q105250793)

English

4-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₅H₄₆O₂₀

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instance of

group of stereoisomers

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1 reference

786.258243872 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₆O₂₀

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)CO)C=CC5=CC=C(O)C(O)=C5

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isomeric SMILES

CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C35H46O20/c1-14-24(43)27(46)32(55-34-28(47)26(45)25(44)21(12-36)51-34)35(50-14)54-31-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(31)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+

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InChIKey

SDRRSTAVRUERNC-QPJJXVBHSA-N

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(Q105250793)

4-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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