Structure Database (LMSD)
Common Name
6-Hydroxytricetin 6,4',5'-trimethyl ether 3'-rhamnoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 6-Hydroxytricetin 6,4',5'-trimethyl ether 3'-rhamnoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
YHFWTZYZLODTMZ-IQIHJXOGSA-N
InChi (Click to copy)
InChI=1S/C24H26O12/c1-9-18(27)20(29)21(30)24(34-9)36-16-6-10(5-15(31-2)23(16)33-4)13-7-11(25)17-14(35-13)8-12(26)22(32-3)19(17)28/h5-9,18,20-21,24,26-30H,1-4H3/t9-,18-,20+,21+,24-/m0/s1
SMILES (Click to copy)
C1C(OC)=C(OC)C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC=1C1=CC(=O)C2C(O)=C(OC)C(O)=CC=2O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
425.98
Topological Polar Surface Area
179.58
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
12
logP
3.44
Molar Refractivity
126.56
Admin
Created at
-
Updated at
22nd Dec 2021