(Q105222756)

English

(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5S,6S,7R,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl]oxy]-6-methyloxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[[6,7-dihydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl]oxy]-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

526.189770388 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4R,5R,6S)-2-[[(1S,4aR,5S,6S,7R,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl]oxy]-6-methyloxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₁₅

0 references

canonical SMILES

OCC1OC(OC2OC=CC3C(OC4OC(C)C(O)C(O)C4O)C(O)C(O)(CO)C23)C(O)C(O)C1O

0 references

isomeric SMILES

C[C@H]1O[C@@H](O[C@H]2[C@H]3C=CO[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H]3[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Gmelina arborea

1 reference

stated in

Gmelinosides A-L, twelve acylated iridoid glycosides from Gmelina arborea

Identifiers

InChI

InChI=1S/C21H34O15/c1-6-10(24)12(26)14(28)19(33-6)35-16-7-2-3-32-18(9(7)21(31,5-23)17(16)30)36-20-15(29)13(27)11(25)8(4-22)34-20/h2-3,6-20,22-31H,4-5H2,1H3/t6-,7+,8-,9-,10-,11-,12+,13-,14-,15+,16+,17+,18+,19+,20-,21+/m1/s1

0 references

InChIKey

QJMLIWAVRXZVOF-GTRUITRHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QJMLIWAVRXZVOF-GTRUITRHSA-N

(Q105222756)

(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5S,6S,7R,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl]oxy]-6-methyloxane-3,4,5-triol

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Identifiers

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