Structure Database (LMSD)
Common Name
Luteolin 3'-methyl ether 7-glucuronide-4'-rhamnoside
Systematic Name
Synonyms
3D model of Luteolin 3'-methyl ether 7-glucuronide-4'-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)
ZENWXUBCITVBTM-RUWMYPARSA-N
InChi (Click to copy)
InChI=1S/C28H30O16/c1-9-19(31)20(32)23(35)27(40-9)43-14-4-3-10(5-16(14)39-2)15-8-13(30)18-12(29)6-11(7-17(18)42-15)41-28-24(36)21(33)22(34)25(44-28)26(37)38/h3-9,19-25,27-29,31-36H,1-2H3,(H,37,38)/t9-,19-,20+,21-,22-,23+,24+,25-,27-,28+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=C(OC)C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
515.34
Topological Polar Surface Area
259.41
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
16
logP
2.42
Molar Refractivity
149.29
Admin
Created at
-
Updated at
25th Nov 2021