Structure Database (LMSD)
Common Name
Myricetin 3-rhamnosyl-(1->2)-rhamnoside
Systematic Name
Synonyms
3D model of Myricetin 3-rhamnosyl-(1->2)-rhamnoside
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)
UMLQYKKIQCBBDM-XYSSDXFWSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-7-16(32)20(36)22(38)26(39-7)43-25-21(37)17(33)8(2)40-27(25)42-24-19(35)15-11(29)5-10(28)6-14(15)41-23(24)9-3-12(30)18(34)13(31)4-9/h3-8,16-17,20-22,25-34,36-38H,1-2H3/t7-,8-,16-,17-,20+,21+,22+,25+,26-,27-/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](C)O2)C(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
500.68
Topological Polar Surface Area
273.57
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
16
logP
2.81
Molar Refractivity
145.68
Admin
Created at
-
Updated at
12th Nov 2021