Tribuloside

[(2S,3R,4R,5S,6R)-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

Also Known As: Tiliroside|Tribuloside|J1.313.900H|J3.739.694J|Kaempferol 3-O-(6 -O-p-coumaroyl)-beta-D-glucopyranoside|3-[6-O-(4-Hydroxy-trans-cinnamoyl)-beta-L-glucopyranosyloxy]-4 ,5,7-trihydroxyflavone|[(2S,3R,4R,5S,6R)-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|[(2S,3R,4R,5S,6R)-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|[(2S,3R,4R,5S,6R)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate|[(2S,3R,4R,5S,6R)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 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]-b-L-glucopyranosyl]oxy]-

Molecular Formula	C30H26O13
Molecular Weight	594.1373 g/mol
LogP	1.7254
Topological Polar Surface Area	216.58 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	594.1373
Monoisotopic Mass	594.1373
Heavy Atoms	43
Complexity	1709.843

Chemical Identifiers

CAS Number	22153-44-2
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