Structure Database (LMSD)
Common Name
6-Hydroxyluteolin 6-glucoside-3'-rhamnoside
Systematic Name
Synonyms
3D model of 6-Hydroxyluteolin 6-glucoside-3'-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)
RDRQLBSNNWIOIO-VHGSFDOFSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(39-8)41-14-4-9(2-3-10(14)29)13-5-11(30)17-15(40-13)6-12(31)25(20(17)34)43-27-24(38)22(36)19(33)16(7-28)42-27/h2-6,8,16,18-19,21-24,26-29,31-38H,7H2,1H3/t8-,16+,18-,19+,21+,22-,23+,24+,26-,27-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)C(O)=CC=3)=CC(=O)C=2C(O)=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
500.68
Topological Polar Surface Area
273.57
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
16
logP
2.01
Molar Refractivity
146.01
Admin
Created at
-
Updated at
4th Jan 2022