Structure Database (LMSD)
Common Name
Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Systematic Name
Synonyms
3D model of Tricetin 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)
AEXWEXJMVYGXPS-BLHWGQFGSA-N
InChi (Click to copy)
InChI=1S/C27H30O15/c1-8-19(32)21(34)23(36)27(38-8)42-25-9(2)39-26(24(37)22(25)35)41-17-4-10(3-14(31)20(17)33)15-7-13(30)18-12(29)5-11(28)6-16(18)40-15/h3-9,19,21-29,31-37H,1-2H3/t8-,9-,19-,21+,22-,23+,24+,25-,26-,27-/m0/s1
SMILES (Click to copy)
C1C(O)=C(O)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)=CC=1C1=CC(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
5
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
491.89
Topological Polar Surface Area
253.34
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
15
logP
3.10
Molar Refractivity
144.01
Admin
Created at
-
Updated at
3rd Jan 2022