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Ginnalin A

CAT: 0926-FG65656-02Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-FG65656-02Size:1000 mg
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CAS Number
76746-56-0
Synonyms
Aceritannin
MDL Number
MFCD02682934
Smiles
O[C@H]1[C@H] (O) [C@@H] (COC (=O) c2cc (O) c (O) c (O) c2) OC[C@@H]1OC (=O) c3cc (O) c (O) c (O) c3
Molecular Formula
C20H20O13
Molecular Weight
468.37 g/mol
Controlled
No

Chemical Information

Ginnalin A

Ginnalin A has been reported in Acer pycnanthum, Acer rubrum, and Acer tataricum with data available.

CAS Number76746-56-0
PubChem CID5318457
IUPAC Name[(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular FormulaC20H20O13
Molecular Weight468.4
XLogP-0.3
Topological Polar Surface Area224
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity665
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C20H20O13/c21-9-1-7(2-10(22)15(9)25)19(29)32-5-13-17(27)18(28)14(6-31-13)33-20(30)8-3-11(23)16(26)12(24)4-8/h1-4,13-14,17-18,21-28H,5-6H2/t13-,14+,17-,18-/m1/s1
InChIKey
IGKWMHUOBKCUQU-LTCOOKNTSA-N
Chemical Structure
2D Structure
2D structure of Ginnalin A
CAS: 76746-56-0
CID: 5318457
Formula: C20H20O13
MW: 468.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.4
XLogP3-0.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass468.09039069
Monoisotopic Mass468.09039069
Topological Polar Surface Area224 Ų
Heavy Atom Count33
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N17603Ginnalin A
GTR19229466-01Ginnalin B

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