Structure Database (LMSD)
Common Name
Myricetin 3-glucoside-7-galactoside
Systematic Name
Synonyms
3D model of Myricetin 3-glucoside-7-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)
ZUULHXHHLWNLGP-AVPFSBIDSA-N
InChi (Click to copy)
InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)41-8-3-9(30)15-12(4-8)42-24(7-1-10(31)16(33)11(32)2-7)25(19(15)36)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2/t13-,14-,17+,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
518.26
Topological Polar Surface Area
314.03
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
18
logP
0.97
Molar Refractivity
149.58
Admin
Created at
-
Updated at
26th Oct 2021