Structure Database (LMSD)
Common Name
Tricetin 7-methyl ether 3'-glucoside-5'-rhamnoside
Systematic Name
Synonyms
3D model of Tricetin 7-methyl ether 3'-glucoside-5'-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)
XAZFTIMXDKKDKR-ZRKLRLSMSA-N
InChi (Click to copy)
InChI=1S/C28H32O16/c1-9-20(32)23(35)25(37)27(40-9)42-16-3-10(14-7-13(31)19-12(30)5-11(39-2)6-15(19)41-14)4-17(21(16)33)43-28-26(38)24(36)22(34)18(8-29)44-28/h3-7,9,18,20,22-30,32-38H,8H2,1-2H3/t9-,18+,20-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES (Click to copy)
C1C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=C(O)C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC=1C1=CC(=O)C2C(O)=CC(OC)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
517.98
Topological Polar Surface Area
262.57
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
16
logP
2.31
Molar Refractivity
150.90
Admin
Created at
-
Updated at
3rd Jan 2022