Tiliroside

Chemical Information
Tribuloside is a glycosyloxyflavone that is kaempferol attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has a role as a plant metabolite. It is a trihydroxyflavone, a cinnamate ester, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a kaempferol and a trans-4-coumaric acid.
| CAS Number | 20316-62-5 |
| PubChem CID | 5320686 |
| 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 |
| Molecular Formula | C30H26O13 |
| Molecular Weight | 594.5 |
| XLogP | 2.5 |
| Topological Polar Surface Area | 213 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1040 |
| Property | Value |
|---|---|
| Molecular Weight | 594.5 |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 594.13734088 |
| Monoisotopic Mass | 594.13734088 |
| Topological Polar Surface Area | 213 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1040 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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