Structure Database (LMSD)
Common Name
6-Hydroxyluteolin 3'-methyl ether 7-sophoroside
Systematic Name
Synonyms
3D model of 6-Hydroxyluteolin 3'-methyl ether 7-sophoroside
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)
YPYVYQJEYDRCKV-JFECCKQBSA-N
InChi (Click to copy)
InChI=1S/C28H32O17/c1-40-13-4-9(2-3-10(13)31)12-5-11(32)18-14(41-12)6-15(19(33)22(18)36)42-28-26(24(38)21(35)17(8-30)44-28)45-27-25(39)23(37)20(34)16(7-29)43-27/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
526.77
Topological Polar Surface Area
282.80
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
17
logP
1.92
Molar Refractivity
152.70
Admin
Created at
-
Updated at
10th Dec 2021