Structure Database (LMSD)
Common Name
Kaempferide 3-glucoside-7-rhamnoside
Systematic Name
Synonyms
3D model of Kaempferide 3-glucoside-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)
OFKKUHQXUNAUKP-CQNMNSRFSA-N
InChi (Click to copy)
InChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(39-10)40-13-7-14(30)17-15(8-13)41-25(11-3-5-12(38-2)6-4-11)26(20(17)33)43-28-24(37)22(35)19(32)16(9-29)42-28/h3-8,10,16,18-19,21-24,27-32,34-37H,9H2,1-2H3/t10-,16+,18-,19+,21+,22-,23+,24+,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)O2)=CC2OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
509.19
Topological Polar Surface Area
242.34
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
15
logP
2.61
Molar Refractivity
149.23
Admin
Created at
-
Updated at
4th Jan 2022