Structure Database (LMSD)
Common Name
Tricetin 7,3',4',5'-trimethyl ether 5-xylosyl-(1->2)-rhamnoside
Systematic Name
Synonyms
3D model of Tricetin 7,3',4',5'-trimethyl ether 5-xylosyl-(1->2)-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)
ZLGRXQBYEFFILJ-CWZFXQMTSA-N
InChi (Click to copy)
InChI=1S/C30H36O15/c1-12-23(33)25(35)28(45-29-26(36)24(34)16(32)11-41-29)30(42-12)44-19-9-14(37-2)8-18-22(19)15(31)10-17(43-18)13-6-20(38-3)27(40-5)21(7-13)39-4/h6-10,12,16,23-26,28-30,32-36H,11H2,1-5H3/t12-,16+,23-,24-,25+,26+,28+,29-,30-/m0/s1
SMILES (Click to copy)
C1C(OC)=C(OC)C(OC)=CC=1C1=CC(=O)C2C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)[C@@H](O)[C@H](C)O3)=CC(OC)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
5
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
543.79
Topological Polar Surface Area
209.34
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
15
logP
3.93
Molar Refractivity
158.94
Admin
Created at
-
Updated at
22nd Dec 2021