Structure Database (LMSD)
Common Name
Isorhamnetin 3-xylosyl-(1->2)-galactoside
Systematic Name
Synonyms
- Quercetin 3'-methyl ether 3-xylosyl-(1->2)-galactoside
3D model of Isorhamnetin 3-xylosyl-(1->2)-galactoside
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)
YAZLWFHAKRXSJO-CGAFZRRXSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)30)23-24(20(35)17-12(31)5-10(29)6-15(17)40-23)42-27-25(21(36)19(34)16(7-28)41-27)43-26-22(37)18(33)13(32)8-39-26/h2-6,13,16,18-19,21-22,25-34,36-37H,7-8H2,1H3/t13-,16-,18+,19+,21+,22-,25-,26+,27+/m1/s1
SMILES (Click to copy)
C1C=C(O)C(OC)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@@H](O)[C@@H](O)[C@@H](CO)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
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
500.68
Topological Polar Surface Area
262.57
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
16
logP
2.27
Molar Refractivity
146.18
Admin
Created at
-
Updated at
4th Oct 2021