(Q105023817)

English

6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6S)-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

6-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

1 reference

based on heuristic

inferred from SMILES

6-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

1 reference

based on heuristic

inferred from SMILES

726.200728996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one

1 reference

based on heuristic

inferred from InChI

6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₈O₁₉

0 references

canonical SMILES

O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3OC4OCC(O)C(O)C4O)C=5C=CC(OC6OC(CO)C(O)C(O)C6O)=CC5

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isomeric SMILES

O=c1cc(-c2ccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c(O)c12

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Vaccaria hispanica

1 reference

Glycosides of Vaccaria Segetalis. VI

Identifiers

InChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17-,18+,21-,22-,23-,25+,26+,27-,28-,29+,30-,31-,32-/m1/s1

0 references

GYIKGLVKALOGDP-DSBKMWIDSA-N

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

GYIKGLVKALOGDP-DSBKMWIDSA-N

UniChem compound ID

1 reference

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