Structure Database (LMSD)
Common Name
Scutellarein 7,4'-dimethyl ether 6-xylosyl-(1->2)-glucoside
Systematic Name
Synonyms
- Gelomuloside B
3D model of Scutellarein 7,4'-dimethyl ether 6-xylosyl-(1->2)-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)
FLNGHKQBVLFAGJ-IIYXSDHHSA-N
InChi (Click to copy)
InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)15-7-13(30)19-16(40-15)8-17(38-2)25(22(19)34)42-28-26(23(35)21(33)18(9-29)41-28)43-27-24(36)20(32)14(31)10-39-27/h3-8,14,18,20-21,23-24,26-29,31-36H,9-10H2,1-2H3/t14-,18-,20+,21-,23+,24-,26-,27+,28+/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@@H](O)[C@H](O)[C@@H](CO)O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
509.19
Topological Polar Surface Area
231.34
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
15
logP
2.87
Molar Refractivity
149.41
Admin
Created at
-
Updated at
4th Jan 2022