Structure Database (LMSD)
Common Name
Kaempferol 7-(3G-glucosylgentiobioside)
Systematic Name
Synonyms
- Kaempferol 7-O-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1-->6)]-glucopyranoside
3D model of Kaempferol 7-(3G-glucosylgentiobioside)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
UOYDGTLOICLFRN-XXWDYGIRSA-N
InChi (Click to copy)
InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)30(54-32-27(46)24(43)20(39)16(8-35)52-32)28(47)33(53-17)49-12-5-13(37)18-14(6-12)50-29(25(44)22(18)41)10-1-3-11(36)4-2-10/h1-6,15-17,19-21,23-24,26-28,30-40,42-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,26-,27-,28-,30+,31-,32+,33-/m1/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[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[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)=CC=2O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
6
Aromatic Rings
3
Rotatable Bonds
10
Van der Waals Molecular Volume
636.07
Topological Polar Surface Area
354.79
Hydrogen Bond Donors
13
Hydrogen Bond Acceptors
21
logP
1.45
Molar Refractivity
181.83
Admin
Created at
-
Updated at
25th Nov 2021