Structure Database (LMSD)
Common Name
Myricetin 3-(2G-rhamnosylrutinoside)
Systematic Name
Synonyms
- Myricetin 3-O-(2'',6''-di-O-alpha-rhamnosyl)-beta-glucoside
3D model of Myricetin 3-(2G-rhamnosylrutinoside)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
DORABKJYWOFZGC-WOVSZKFHSA-N
InChi (Click to copy)
InChI=1S/C33H40O21/c1-8-18(38)23(43)26(46)31(49-8)48-7-16-21(41)25(45)30(54-32-27(47)24(44)19(39)9(2)50-32)33(52-16)53-29-22(42)17-12(35)5-11(34)6-15(17)51-28(29)10-3-13(36)20(40)14(37)4-10/h3-6,8-9,16,18-19,21,23-27,30-41,43-47H,7H2,1-2H3/t8-,9-,16+,18-,19-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
SMILES (Click to copy)
C1C(O)=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C(=O)C2C(O)=CC(O)=CC=2O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
6
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
636.07
Topological Polar Surface Area
354.79
Hydrogen Bond Donors
13
Hydrogen Bond Acceptors
21
logP
2.35
Molar Refractivity
181.36
Admin
Created at
-
Updated at
25th Sep 2021