(Q105253240)

English

3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

1 reference

based on heuristic

inferred from SMILES

786.221858364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₂O₂₁

0 references

canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)=C(OC=4C=C(O)C=C(O)C14)C=5C=C(OC)C(O)=C(OC6OC(CO)C(O)C(O)C6O)C5

0 references

isomeric SMILES

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1O

0 references

Ajuga integrifolia

1 reference

Flavonol and iridoid glycosides of Ajuga remota aerial parts

Identifiers

InChI=1S/C34H42O21/c1-9-19(38)24(43)27(46)32(49-9)55-31-26(45)20(39)10(2)50-34(31)54-30-23(42)18-13(37)6-12(36)7-14(18)51-29(30)11-4-15(48-3)21(40)16(5-11)52-33-28(47)25(44)22(41)17(8-35)53-33/h4-7,9-10,17,19-20,22,24-28,31-41,43-47H,8H2,1-3H3/t9-,10-,17+,19-,20-,22-,24+,25-,26+,27+,28+,31+,32-,33+,34-/m0/s1

0 references

SHWCEOWJSKHENJ-YKTRTIOASA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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