Structure Database (LMSD)
Common Name
8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-galactoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-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)
SFPBPCAQVDGNMT-XMGFGSHJSA-N
InChi (Click to copy)
InChI=1S/C39H50O20/c1-14(2)5-10-18-20(55-38-32(50)29(47)25(43)21(12-40)56-38)11-19(41)23-27(45)36(34(58-35(18)23)16-6-8-17(52-4)9-7-16)59-39-33(51)30(48)26(44)22(57-39)13-53-37-31(49)28(46)24(42)15(3)54-37/h5-9,11,15,21-22,24-26,28-33,37-44,46-51H,10,12-13H2,1-4H3/t15-,21+,22+,24-,25-,26-,28+,29-,30-,31+,32+,33+,37+,38+,39-/m0/s1
SMILES (Click to copy)
C1C=C(OC)C=CC=1C1=C(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)[C@H](C)O3)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)=C(C/C=C(/C)\C)C=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
59
Rings
6
Aromatic Rings
3
Rotatable Bonds
12
Van der Waals Molecular Volume
728.44
Topological Polar Surface Area
323.56
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
20
logP
3.66
Molar Refractivity
208.05
Admin
Created at
-
Updated at
28th Nov 2021