(Q105010757)

English

[(2R,3S,4R,5S,6S)-6-[(3S,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

group of stereoisomers with the chemical formula C₃₅H₄₂O₂₁

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Statements

group of stereoisomers

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1 reference

798.2218583640001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₄₂O₂₁

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1C)OC2C(O)C(O)C(OC2OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=CC5)COC6OC(CO)C(O)C(O)C6O)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2C(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@@H](COC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O

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Identifiers

InChI=1S/C35H42O21/c1-11-29(51-12(2)37)26(46)28(48)34(50-11)56-32-25(45)22(42)19(10-49-33-27(47)24(44)21(41)18(9-36)53-33)54-35(32)55-31-23(43)20-16(40)7-15(39)8-17(20)52-30(31)13-3-5-14(38)6-4-13/h3-8,11,18-19,21-22,24-29,32-36,38-42,44-48H,9-10H2,1-2H3/t11-,18-,19+,21-,22+,24+,25-,26-,27-,28+,29-,32+,33?,34+,35?/m1/s1

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GLBNIGIHMJUSCH-XZLXAPMVSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

GLBNIGIHMJUSCH-XZLXAPMVSA-N

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