Structure Database (LMSD)
Common Name
Kaempferol 3-(3G-glucosylneohesperidoside)
Systematic Name
Synonyms
- Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-glucoside]
3D model of Kaempferol 3-(3G-glucosylneohesperidoside)
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)
ZOSYTGZBPSTVGJ-XNDJRRBESA-N
InChi (Click to copy)
InChI=1S/C33H40O20/c1-10-19(39)23(43)25(45)31(47-10)53-30-28(51-32-26(46)24(44)20(40)16(8-34)49-32)21(41)17(9-35)50-33(30)52-29-22(42)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-21,23-26,28,30-41,43-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25+,26+,28-,30+,31-,32-,33-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
6
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
627.28
Topological Polar Surface Area
334.56
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
20
logP
2.20
Molar Refractivity
179.93
Admin
Created at
-
Updated at
26th Oct 2021