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Tribuloside

CAT: 1410-M18252-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M18252-05Size:50 mg
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Description
A new cinnamolyglycoflavonoid 3-cinnamoyltribuloside, its precursor tribuloside and two known flavonoid glycosides afzelin and astilbin were isolated from Heritiera littoralis Dryand (Sterculiaceae) ethanolic leaf extract.
CAS Number
22153-44-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
594.52
Molecular Formula
C30H26O13
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Tiliroside

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 Number22153-44-2
PubChem CID5320686
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 FormulaC30H26O13
Molecular Weight594.5
XLogP2.5
Topological Polar Surface Area213
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1040
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
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
InChIKey
DVGGLGXQSFURLP-VWMSDXGPSA-N
Chemical Structure
2D Structure
2D structure of Tiliroside
CAS: 22153-44-2
CID: 5320686
Formula: C30H26O13
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP32.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass594.13734088
Monoisotopic Mass594.13734088
Topological Polar Surface Area213 Ų
Heavy Atom Count43
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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