Structure Database (LMSD)
Common Name
6-Hydroxykaempferol 4'-methyl ether 3,7-dirhamnoside
Systematic Name
Synonyms
3D model of 6-Hydroxykaempferol 4'-methyl ether 3,7-dirhamnoside
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)
NFBWQYZCQAVTLM-WCNLNOANSA-N
InChi (Click to copy)
InChI=1S/C28H32O15/c1-9-16(29)21(34)23(36)27(39-9)42-14-8-13-15(19(32)18(14)31)20(33)26(25(41-13)11-4-6-12(38-3)7-5-11)43-28-24(37)22(35)17(30)10(2)40-28/h4-10,16-17,21-24,27-32,34-37H,1-3H3/t9-,10-,16-,17-,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](C)O3)C(=O)C=2C(O)=C1O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
509.19
Topological Polar Surface Area
242.34
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
15
logP
3.06
Molar Refractivity
149.00
Admin
Created at
-
Updated at
1st Dec 2021