(Q105257404)

English

[1S,(+)]-1,2,3,4-Tetrahydro-7-hydroxy-1alpha-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-2beta-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl-3alpha-naphthalenemethanol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[4,5-Dihydroxy-6-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

744.284064696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₈O₁₈

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canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2C3=C(OC)C(O)=C(OC)C=C3CC(CO)C2COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O

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isomeric SMILES

COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc(OC)c1O

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found in taxon

Albizia julibrissin

1 reference

stated in

Studies on Leguminous Plants. Part 29. Four New Glycosides from Albizziae Cortex. III.

Identifiers

InChI

InChI=1S/C34H48O18/c1-45-17-7-14(8-18(46-2)24(17)38)22-16(15(9-35)5-13-6-19(47-3)26(40)32(48-4)23(13)22)12-49-33-30(44)28(42)31(21(11-37)51-33)52-34-29(43)27(41)25(39)20(10-36)50-34/h6-8,15-16,20-22,25,27-31,33-44H,5,9-12H2,1-4H3/t15-,16-,20+,21+,22+,25+,27-,28+,29+,30+,31+,33+,34-/m0/s1

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InChIKey

SPGYBVBVYZBBHV-YIJZQMSFSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

SPGYBVBVYZBBHV-YIJZQMSFSA-N

1 reference

(Q105257404)

[1S,(+)]-1,2,3,4-Tetrahydro-7-hydroxy-1alpha-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-2beta-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl-3alpha-naphthalenemethanol

Statements

Identifiers

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