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Kaempferol-3-o-galactoside

CAT: 0926-YAA62787-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-YAA62787-01Size:1 mg
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CAS Number
23627-87-4
MDL Number
MFCD24849351
Smiles
C1=CC (=CC=C1C2=C (C (=O) C3=C (C=C (C=C3O2) O) O) OC4C (C (C (C (O4) CO) O) O) O) O
Molecular Formula
C21H20O11
Molecular Weight
448.4 g/mol
Controlled
No

Chemical Information

Kaempferol 3-O-galactoside

Kaempferol 3-O-beta-D-galactoside is a beta-D-galactoside compound with a 4',5,7-trihydroxychromen-3-yl group at the anomeric position. It has a role as an antifungal agent and a plant metabolite. It is a trihydroxyflavone, a beta-D-galactoside, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a kaempferol. It is a conjugate acid of a kaempferol 3-O-beta-D-galactoside(1-).

CAS Number23627-87-4
PubChem CID5282149
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O11
Molecular Weight448.4
XLogP0.7
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity719
SMILES
C1=CC(=CC=C1C2=C(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/C21H20O11/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/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1
InChIKey
JPUKWEQWGBDDQB-DTGCRPNFSA-N
Chemical Structure
2D Structure
2D structure of Kaempferol 3-O-galactoside
CAS: 23627-87-4
CID: 5282149
Formula: C21H20O11
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP30.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass448.10056145
Monoisotopic Mass448.10056145
Topological Polar Surface Area186 Ų
Heavy Atom Count32
Formal Charge0
Complexity719
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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