Structure Database (LMSD)
Common Name
Kaempferol 3-xylosyl-(1->4)-rhamnoside-7-rhamnoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Kaempferol 3-xylosyl-(1->4)-rhamnoside-7-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)
JEQOCZRMZWZMMR-VPQVOWBCSA-N
InChi (Click to copy)
InChI=1S/C32H38O18/c1-10-19(36)22(39)25(42)31(45-10)47-14-7-15(34)18-17(8-14)48-28(12-3-5-13(33)6-4-12)29(21(18)38)50-32-26(43)23(40)27(11(2)46-32)49-30-24(41)20(37)16(35)9-44-30/h3-8,10-11,16,19-20,22-27,30-37,39-43H,9H2,1-2H3/t10-,11+,16-,19-,20+,22-,23+,24-,25-,26-,27+,30+,31+,32+/m1/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H](C)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@H](O)[C@H](O)[C@@H](C)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
6
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
592.40
Topological Polar Surface Area
294.10
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
18
logP
2.94
Molar Refractivity
171.61
Admin
Created at
-
Updated at
7th Jan 2022