(Q105298195)

English

3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,7-dihydroxyxanthen-9-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,7-dihydroxyxanthen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

552.147905576 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₈O₁₄

0 references

canonical SMILES

O=C1C2=CC(O)=CC=C2OC3=CC(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)=CC(O)=C13

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2Oc2cc(O)c3c(=O)c4cc(O)ccc4oc3c2)[C@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Polygala tenuifolia

1 reference

stated in

Xanthone glycosides from Polygala tenuifolia and their conformational analyses.

Identifiers

InChI

InChI=1S/C25H28O14/c1-8-17(29)20(32)22(34)24(35-8)39-23-21(33)19(31)15(7-26)38-25(23)36-10-5-12(28)16-14(6-10)37-13-3-2-9(27)4-11(13)18(16)30/h2-6,8,15,17,19-29,31-34H,7H2,1H3/t8-,15+,17-,19+,20+,21-,22+,23+,24-,25-/m0/s1

0 references

InChIKey

VWOARAFDOWHQIV-WMUVIVARSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VWOARAFDOWHQIV-WMUVIVARSA-N

(Q105298195)

3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,7-dihydroxyxanthen-9-one

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