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Tricin 7-O-glucuronide

CAT: 0931-T19238Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T19238Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32769-02-1
Target
Others
Related Pathways
Others
Bioactivity
Tricin 7-O-glucuronide is a flavonoid from Alfalfa (Medicago sativa L.) .
Smiles
O=C1C=2C(OC(=C1)C3=CC(OC)=C(O)C(OC)=C3)=CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC2O
Molecular Formula
C23H22O13
Molecular Weight
506.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tricin 7-O-glucuronide

Tricin 7-O-glucuronide has been reported in Scutellaria indica, Scutellaria discolor, and other organisms with data available.

CAS Number32769-02-1
PubChem CID101939793
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Molecular FormulaC23H22O13
Molecular Weight506.4
XLogP1.1
Topological Polar Surface Area202
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity834
SMILES
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
InChI
InChI=1S/C23H22O13/c1-32-14-3-8(4-15(33-2)17(14)26)12-7-11(25)16-10(24)5-9(6-13(16)35-12)34-23-20(29)18(27)19(28)21(36-23)22(30)31/h3-7,18-21,23-24,26-29H,1-2H3,(H,30,31)/t18-,19-,20+,21-,23+/m0/s1
InChIKey
HJWFFBNADKDQPV-KHYDEXNFSA-N
Chemical Structure
2D Structure
2D structure of Tricin 7-O-glucuronide
CAS: 32769-02-1
CID: 101939793
Formula: C23H22O13
MW: 506.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.4
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass506.10604075
Monoisotopic Mass506.10604075
Topological Polar Surface Area202 Ų
Heavy Atom Count36
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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