Structure Database (LMSD)
Common Name
Rhamnetin 3-alpha-L-arabinopyranoside
Systematic Name
Synonyms
3D model of Rhamnetin 3-alpha-L-arabinopyranoside
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)
KUFSJZPHCKXVTN-IMYKZHQLSA-N
InChi (Click to copy)
InChI=1S/C21H20O11/c1-29-9-5-12(24)15-14(6-9)31-19(8-2-3-10(22)11(23)4-8)20(17(15)27)32-21-18(28)16(26)13(25)7-30-21/h2-6,13,16,18,21-26,28H,7H2,1H3/t13-,16-,18+,21-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
365.29
Topological Polar Surface Area
181.35
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
11
logP
2.73
Molar Refractivity
110.50
Admin
Created at
-
Updated at
4th Jan 2022