Structure Database (LMSD)
Common Name
Myricetin 3-acetylrhamnoside
Systematic Name
Synonyms
- Myricetin 3-O-(4''-acetyl)-alpha-L-rhamnopyranoside
3D model of Myricetin 3-acetylrhamnoside
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)
SYFGHPIRFKVZAG-ZPAKKGACSA-N
InChi (Click to copy)
InChI=1S/C23H22O13/c1-7-20(34-8(2)24)18(31)19(32)23(33-7)36-22-17(30)15-11(26)5-10(25)6-14(15)35-21(22)9-3-12(27)16(29)13(28)4-9/h3-7,18-20,23,25-29,31-32H,1-2H3/t7-,18-,19+,20-,23-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](OC(C)=O)[C@H](C)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
4
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
414.83
Topological Polar Surface Area
218.65
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
13
logP
3.10
Molar Refractivity
121.44
Admin
Created at
-
Updated at
4th Jan 2022