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Polystachoside

CAT: 0926-FAA04168-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FAA04168-03Size:25 mg
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CAS Number
5041-68-9
MDL Number
MFCD10566630
Smiles
C1=CC (=C (C=C1C2=C (C (=O) C3=C (C=C (C=C3O2) O) O) OC4C (C (C (O4) CO) O) O) O) O
Molecular Formula
C20H18O11
Molecular Weight
434.3 g/mol
Controlled
No

Chemical Information

Quercetin 3-arabinoside

Quercetin 3-arabinoside is a glycoside and a member of flavonoids.

CAS Number5041-68-9
PubChem CID10252339
IUPAC Name3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular FormulaC20H18O11
Molecular Weight434.3
XLogP1
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O
InChI
InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1
InChIKey
BDCDNTVZSILEOY-BQCJVYABSA-N
Chemical Structure
2D Structure
2D structure of Quercetin 3-arabinoside
CAS: 5041-68-9
CID: 10252339
Formula: C20H18O11
MW: 434.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.3
XLogP31
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass434.08491139
Monoisotopic Mass434.08491139
Topological Polar Surface Area186 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
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

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