Structure Database (LMSD)
Common Name
6-Methoxykaempferol 3-rhamnoside-7-(4'''-acetylrhamnoside)
Systematic Name
Synonyms
3D model of 6-Methoxykaempferol 3-rhamnoside-7-(4'''-acetylrhamnoside)
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)
QSIIEBFTXYATML-YOLLTEGFSA-N
InChi (Click to copy)
InChI=1S/C30H34O16/c1-10-18(33)21(36)23(38)30(41-10)46-28-20(35)17-15(44-26(28)13-5-7-14(32)8-6-13)9-16(27(40-4)19(17)34)45-29-24(39)22(37)25(11(2)42-29)43-12(3)31/h5-11,18,21-25,29-30,32-34,36-39H,1-4H3/t10-,11-,18+,21-,22+,23-,24-,25+,29+,30+/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](OC(C)=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](C)O3)C(=O)C=2C(O)=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
46
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
549.94
Topological Polar Surface Area
248.41
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
16
logP
3.63
Molar Refractivity
158.54
Admin
Created at
-
Updated at
22nd Dec 2021