Structure Database (LMSD)
Common Name
8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside
Systematic Name
Synonyms
3D model of 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(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)
NSBMHMYRKNRGCQ-LZWAGGJNSA-N
InChi (Click to copy)
InChI=1S/C34H42O15/c1-13(2)7-9-17-21(44-6)12-19(36)22-24(38)32(30(47-31(17)22)16-8-10-20(43-5)18(35)11-16)49-34-28(42)26(40)29(15(4)46-34)48-33-27(41)25(39)23(37)14(3)45-33/h7-8,10-12,14-15,23,25-29,33-37,39-42H,9H2,1-6H3/t14-,15-,23-,25+,26-,27+,28+,29-,33-,34-/m0/s1
SMILES (Click to copy)
C1C=C(OC)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](C)O2)C(=O)C2C(O)=CC(OC)=C(C/C=C(/C)\C)C=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
5
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
610.35
Topological Polar Surface Area
231.34
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
15
logP
5.22
Molar Refractivity
176.92
Admin
Created at
-
Updated at
7th Jan 2022