2D Structure | |
CID | 5320686 |
Target | / |
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
InChI | InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1 |
InChI Key | DVGGLGXQSFURLP-VWMSDXGPSA-N |
Canonical SMILES | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
Isomeric SMILES | C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
Molecular Formula | C30H26O13 |
Molecular Weight | 594.5 |
synonyms | ['Tiliroside', '20316-62-5', 'Trans-Tiliroside', 'Potengriffioside A', '15M04TXR9M', 'RONACARE TILIROSIDE', '[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate', 'DTXSID601021936', "2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6'-ester with 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one", "ASTRAGALIN-6''-TRANS-P-COUMARATE", "KAEMPFEROL 3-O-(6''-O-P-COUMAROYL)GLUCOSIDE", 'KAEMPFEROL-3-O(-6-O-TRANS-P-COUMAROYL-.BETA.-GLUCOPYRANOSIDE', '3-O-KAEMPFEROL 6-O-(TRANS-P-COUMAROYL)-.BETA.-D-GLUCOPYRANOSIDE', "KAEMPFEROL 3-O-(6''-O-(E)-P-COUMAROYL)-.BETA.-D-GLUCOPYRANOSIDE", "KAEMPFEROL 3-O-(6''-O-(TRANS-P-COUMAROYL))-.BETA.-D-GLUCOPYRANOSIDE", 'KAEMPFEROL 3-O-.BETA.-D-(6-O-TRANS-P-COUMAROYL)GLUCOPYRANOSIDE', "2-PROPENOIC ACID, 3-(4-HYDROXYPHENYL)-, 6'-ESTER WITH 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, (E)-", '4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-3-((6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-', '((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate', '((2R,3S,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate', '[(2R,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate', 'TILIROSIDE [INCI]', 'DTXCID201506849', 'KAEMPFEROL 3-O-BETA-D-(6-O-TRANS-P-COUMAROYL)GLUCOPYRANOSIDE', 'KAEMPFEROL-3-O(-6-O-TRANS-P-COUMAROYL-BETA-GLUCOPYRANOSIDE', '3-O-KAEMPFEROL 6-O-(TRANS-P-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE', "KAEMPFEROL 3-O-(6''-O-(E)-P-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE", "KAEMPFEROL 3-O-(6''-O-(TRANS-P-COUMAROYL))-BETA-D-GLUCOPYRANOSIDE", "2-PROPENOIC ACID, 3-(4-HYDROXYPHENYL)-, 6'-ESTER WITH 3-(BETA-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, (E)-", '4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-3-((6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-BETA-D-GLUCOPYRANOSYL)OXY)-', 'Tribuloside', '22153-44-2', 'CHEMBL266564', 'CHEBI:80944', '((2R,3S,4S,5R,6S)-6-((5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate', '((2R,3S,4S,5R,6S)-6-((5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate', 'UNII-15M04TXR9M', 'MFCD00017454', 'Tiliroside (Standard)', 'SCHEMBL23597', 'Tiliroside, analytical standard', 'MEGxp0_000169', 'HY-N1425R', 'DVGGLGXQSFURLP-VWMSDXGPSA-N', 'GLXC-13144', 'Kaempferol-3-(p-coumaryl)glucoside', 'HY-N2443', 'BDBM50241244', 'AKOS015896718', 'NCGC00163634-01', 'NCGC00163634-02', 'DA-68321', 'DA-78475', 'MS-30569', 'CS-0022668', 'NS00097257', 'kaempferol 3-O-(6"-O-p-coumaroyl)-glucoside', 'C17140', 'Q23418844', 'kaempferol-3-beta-D-(6-O-trans-p-coumaroyl)glucopyranoside', 'Kaempferol-3-O-(6-O-trans-p-coumaroyl)-.beta.-glucopyranoside', "kaempferol-3-O-beta-D-(6''-(E)-p-coumaroyl)-glucopyranoside", "kaempferol 3-O-(6'''' ''''-O-E-p-coumaroyl)-beta-D-glucopyranoside", '(E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yloxy)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate', '[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate', '4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-.beta.-D-glucopyranosyl]oxy]-', '5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4E-1-benzopyran-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside'] |
From Pubchem