Structure Database (LMSD)
Common Name
Kaempferol 3-rhamnosyl-(1->4)-rhamnoside-7-rhamnoside
Systematic Name
Synonyms
3D model of Kaempferol 3-rhamnosyl-(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)
NLJNYZLJCNVCNR-XJHXNNCMSA-N
InChi (Click to copy)
InChI=1S/C33H40O18/c1-10-19(36)22(39)25(42)31(45-10)48-15-8-16(35)18-17(9-15)49-29(13-4-6-14(34)7-5-13)30(21(18)38)51-33-27(44)24(41)28(12(3)47-33)50-32-26(43)23(40)20(37)11(2)46-32/h4-12,19-20,22-28,31-37,39-44H,1-3H3/t10-,11-,12-,19-,20-,22+,23+,24-,25+,26+,27+,28-,31-,32-,33-/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(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](C)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
6
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
609.70
Topological Polar Surface Area
294.10
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
18
logP
3.33
Molar Refractivity
176.23
Admin
Created at
-
Updated at
7th Jan 2022