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Dihydrokaempferol-3-glucoside

CAT: 0926-XD161718-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-XD161718-01Size:1 mg
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CAS Number
31049-08-8
Synonyms
2R,3R-Dihydrokaempferol 3-O-?-D-glucoside; Aromadendrin 3-O-?-D-glucoside; Arthromerin B
Smiles
C1=CC (=CC=C1[C@@H]2[C@H] (C (=O) C3=C (C=C (C=C3O2) O) O) O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) CO) O) O) O) O
Molecular Formula
C21H22O11
Molecular Weight
450.39 g/mol
Controlled
No

Chemical Information

Dihydrokaempferol 3-O-glucoside

Dihydrokaempferol 3-glucoside has been reported in Oxytropis racemosa with data available.

CAS Number31049-08-8
PubChem CID10478918
IUPAC Name(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O11
Molecular Weight450.4
XLogP0.2
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity654
SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C21H22O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-26,28-29H,7H2/t13-,15-,17+,18-,19-,20+,21+/m1/s1
InChIKey
VWBWQPAZMNABMR-UTZHSPHRSA-N
Chemical Structure
2D Structure
2D structure of Dihydrokaempferol 3-O-glucoside
CAS: 31049-08-8
CID: 10478918
Formula: C21H22O11
MW: 450.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.4
XLogP30.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass450.11621151
Monoisotopic Mass450.11621151
Topological Polar Surface Area186 Ų
Heavy Atom Count32
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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