Structure Database (LMSD)
Common Name
Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Systematic Name
Synonyms
3D model of Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
RCFWRYSPIYCQHE-NZIIXAFUSA-N
InChi (Click to copy)
InChI=1S/C22H20O12/c1-8(24)31-20-15(7-23)33-22(18(20)30)34-21-17(29)16-13(28)5-10(25)6-14(16)32-19(21)9-2-3-11(26)12(27)4-9/h2-6,15,18,20,22-23,25-28,30H,7H2,1H3/t15-,18+,20+,22-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@@H]3O[C@@H](CO)[C@@H](OC(C)=O)[C@H]3O)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
388.74
Topological Polar Surface Area
198.42
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
12
logP
3.00
Molar Refractivity
115.16
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Updated at
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