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Sophoraflavonoloside

CAT: 0013-GTR19260500Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260500Size:25 mg
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Description
Sophoraflavonoloside
CAS Number
19895-95-5
Notes
For research use only.

Chemical Information

kaempferol 3-O-sophoroside

Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside is a sophoroside that is kaempferol attached to a beta-D-sophorosyl residue at position 3 via a glycosidic linkage. It has a role as a plant metabolite. It is a sophoroside and a trihydroxyflavone.

CAS Number19895-95-5
PubChem CID5282155
IUPAC Name3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC27H30O16
Molecular Weight610.5
XLogP-0.9
Topological Polar Surface Area266
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1000
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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI
InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChIKey
LKZDFKLGDGSGEO-UJECXLDQSA-N
Chemical Structure
2D Structure
2D structure of kaempferol 3-O-sophoroside
CAS: 19895-95-5
CID: 5282155
Formula: C27H30O16
MW: 610.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.5
XLogP3-0.9
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass610.15338487
Monoisotopic Mass610.15338487
Topological Polar Surface Area266 Ų
Heavy Atom Count43
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
371985Sophoraflavonoloside discontinued

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