(Q105307616)

English

(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-Hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

638.221070516 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4S,5S,6S)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₁₅

0 references

canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(OC)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O

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found in taxon

Scrophularia nodosa

2 references

stated in

Acylated iridoid and phenylethanoid glycosides from the aerial parts of Scrophularia nodosa

stated in

Acylated iridoid and phenylethanoid glycosides from the aerial parts of Scrophularia nodosa

Verbena litoralis

2 references

stated in

A new iridoid glycoside with nerve growth factor-potentiating activity, gelsemiol 6'-trans-caffeoyl-1-glucoside, from Verbena littoralis

stated in

A New Iridoid Glycoside with Nerve Growth Factor-Potentiating Activity, Gelsemiol 6′-trans-Caffeoyl-1-glucoside, from Verbena littoralis.

Jacaranda caucana

2 references

stated in

Antioxidant phenylethanoid glycosides and a neolignan from Jacaranda caucana

stated in

Antioxidant phenylethanoid glycosides and a neolignan from Jacaranda caucana

Aeginetia indica

1 reference

stated in

Phenylpropanoid Glycosides from the Parasitic Plant,Aeginetia Indica

Buddleja davidii

1 reference

stated in

Phenylethanoid and lignan-iridoid complex glycosides from roots of Buddleja davidii

Cistanche salsa

1 reference

stated in

New Glycosides fromCistanche salsa

Pedicularis artselaeri

1 reference

stated in

Iridoid and phenylpropanoid glycosides from Pedicularis artselaeri

Scutellaria baicalensis

1 reference

stated in

Flavonoids and phenylethanoids from hairy root cultures of Scutellaria baicalensis

Stachytarpheta cayennensis

1 reference

stated in

Phenylethanoid glycosides from Stachytarpheta cayennensis (Rich.) Vahl, Verbenaceae, a traditional antimalarial medicinal plant

Rehmannia glutinosa

1 reference

stated in

Hydroxycinnamic acid esters of phenethylalcohol glycosides from Rehmannia glutinosa var. Purpurea

Scutellaria pekinensis var. pekinensis

1 reference

stated in

Studies on the constituents of roots of Scutellaria planipes

Amphilophium crucigerum

1 reference

stated in

Iridoid glycosides from the stems of Pithecoctenium crucigerum (Bignoniaceae).

Identifiers

InChI

InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-4-7-20(40-2)19(34)12-16)43-21(13-31)27(28)44-22(35)8-5-15-3-6-17(32)18(33)11-15/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1

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InChIKey

WKQLGHCWJNLUKK-CPPDSBOHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105307616)

(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Identifiers

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