Kaempferol-3-O-β-6''(p-coumaroyl) glucopyranoside (Tiliroside)

Kaempferol-3-O-β-6''(p-coumaroyl) glucopyranoside (Tiliroside)
Compound Structure:
Synonyms: Tiliroside; Tribuloside; Trans-Tiliroside; ((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; Potengriffioside A; 6''-O-trans-p-Coumaroylastra
Compound ID: NMPC-1175
PubChem ID:

5320686
Molecular Formula: C30H26O13
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
InChIKey: DVGGLGXQSFURLP-VWMSDXGPSA-N
About the compound:

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 glycosyloxyflavone, a cinnamate ester, a trihydroxyflavone and a monosaccharide derivative. It is functionally related to a kaempferol and a trans-4-coumaric acid.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

594.5 g/mol

XLogP3-AA

2.5

Hydrogen Bond Donor Count

7

Hydrogen Bond Acceptor Count

13

Rotatable Bond Count

8

Exact Mass

594.13734088 g/mol

Monoisotopic Mass

594.13734088 g/mol

Topological Polar Surface Area

213Ų

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

Source: PubChem                        
Source Species: Croton zambesicus
Croton gratissimus.
Download SDF