Structure Database (LMSD)
Common Name
6-Hydroxyapigenin 7-xylosyl-(1->6)-galactoside
Systematic Name
Synonyms
- Scutellarein 7-xylosyl-(1->6)-galactoside
3D model of 6-Hydroxyapigenin 7-xylosyl-(1->6)-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)
SGXXRDVIARYNMJ-XOFAZCOVSA-N
InChi (Click to copy)
InChI=1S/C26H28O15/c27-10-3-1-9(2-4-10)13-5-11(28)17-14(39-13)6-15(19(31)21(17)33)40-26-24(36)22(34)20(32)16(41-26)8-38-25-23(35)18(30)12(29)7-37-25/h1-6,12,16,18,20,22-27,29-36H,7-8H2/t12-,16-,18+,20+,22+,23-,24-,25+,26-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)O2)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
474.59
Topological Polar Surface Area
253.34
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
15
logP
2.27
Molar Refractivity
139.63
Admin
Created at
-
Updated at
5th Jan 2022