Structure Database (LMSD)
Common Name
Scutellarein 7,4'-dimethyl ether 6-rhamnosyl-(1->2)-glucoside
Systematic Name
Synonyms
3D model of Scutellarein 7,4'-dimethyl ether 6-rhamnosyl-(1->2)-glucoside
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)
HFNIATQIKQCDMZ-VHVDPMTKSA-N
InChi (Click to copy)
InChI=1S/C29H34O15/c1-11-20(32)23(35)25(37)28(40-11)44-27-24(36)21(33)18(10-30)42-29(27)43-26-17(39-3)9-16-19(22(26)34)14(31)8-15(41-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-25,27-30,32-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,27+,28-,29-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
526.49
Topological Polar Surface Area
231.34
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
15
logP
3.26
Molar Refractivity
154.02
Admin
Created at
-
Updated at
4th Jan 2022