Structure Database (LMSD)
Common Name
Myricetin 3-rhamnoside-3'-glucoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Myricetin 3-rhamnoside-3'-glucoside
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)
RPGJKSCSVDFKDH-PNJIPXQGSA-N
InChi (Click to copy)
InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(40-7)44-25-19(35)15-10(30)4-9(29)5-12(15)41-24(25)8-2-11(31)17(33)13(3-8)42-27-23(39)21(37)18(34)14(6-28)43-27/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7-,14+,16-,18+,20+,21-,22+,23+,26-,27+/m0/s1
SMILES (Click to copy)
C1C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
509.47
Topological Polar Surface Area
293.80
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
17
logP
1.72
Molar Refractivity
147.68
Admin
Created at
-
Updated at
3rd Jan 2022