(Q27133936)

2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl beta-D-glucopyranoside (English)

7 October 2016

chemical formula

C₂₆H₃₂O₁₂

1 reference

2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl beta-D-glucopyranoside (English)

7 October 2016

canonical SMILES

COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(CC(=O)C3=CC(=C(C=C3)O)OC)O)C=CCO

1 reference

2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl beta-D-glucopyranoside (English)

7 October 2016

isomeric SMILES

COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(CC(=O)C3=CC(=C(C=C3)O)OC)O)/C=C/CO

1 reference

2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl beta-D-glucopyranoside (English)

InChI=1S/C26H32O12/c1-35-19-10-14(5-6-16(19)29)17(30)11-18(31)15-8-13(4-3-7-27)9-20(36-2)25(15)38-26-24(34)23(33)22(32)21(12-28)37-26/h3-6,8-10,18,21-24,26-29,31-34H,7,11-12H2,1-2H3/b4-3+/t18?,21-,22-,23+,24-,26+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl beta-D-glucopyranoside (English)

SWUYIHFWXBMJBL-FZIOHWLZSA-N

7 October 2016

InChIKey

2 references

2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl beta-D-glucopyranoside (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-[1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl beta-D-glucopyranoside (English)

7 October 2016

1 reference

2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl beta-D-glucopyranoside (English)

7 October 2016

Reaxys registry number

10505609

1 reference

bidenlignaside A (English)

7 October 2016

ChEBI ID

65494

mapping relation type

1 reference