Structure Database (LMSD)
Common Name
Galangin 3-galactosyl-(1->4)-rhamnoside
Systematic Name
Synonyms
3D model of Galangin 3-galactosyl-(1->4)-rhamnoside
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)
OUUQNKHDCPSYJE-DJWWGQDQSA-N
InChi (Click to copy)
InChI=1S/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3/t10-,15+,17-,19-,20-,21+,22+,23-,26-,27-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)[C@H](C)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
483.10
Topological Polar Surface Area
233.11
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
14
logP
2.95
Molar Refractivity
142.58
Admin
Created at
-
Updated at
13th Dec 2021