Structure Database (LMSD)
Common Name
Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Systematic Name
Synonyms
3D model of Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
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)
SNWSDJIWOIJZFI-OGPXJKINSA-N
InChi (Click to copy)
InChI=1S/C36H44O21/c1-11-22(41)25(44)27(46)35(51-11)57-33-29(48)34(52-12(2)30(33)53-13(3)37)50-10-20-23(42)26(45)28(47)36(55-20)56-32-24(43)21-18(40)8-15(49-4)9-19(21)54-31(32)14-5-6-16(38)17(39)7-14/h5-9,11-12,20,22-23,25-30,33-36,38-42,44-48H,10H2,1-4H3/t11-,12-,20+,22-,23-,25+,26-,27+,28+,29+,30-,33-,34+,35-,36-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](OC(C)=O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
57
Rings
6
Aromatic Rings
3
Rotatable Bonds
11
Van der Waals Molecular Volume
685.33
Topological Polar Surface Area
329.63
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
21
logP
3.52
Molar Refractivity
194.13
Admin
Created at
-
Updated at
4th Jan 2022