Structure Database (LMSD)
Common Name
Dicliripariside C
Systematic Name
6,8-Dihydroxy-7,4'-dimethoxyflavone 6-rutinoside
Synonyms
3D model of Dicliripariside C
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)
MBRCWLXDYZVRRR-PZBAPHHGSA-N
InChi (Click to copy)
InChI=1S/C29H34O15/c1-11-19(31)21(33)23(35)28(41-11)40-10-18-20(32)22(34)24(36)29(44-18)43-17-8-14-15(30)9-16(12-4-6-13(38-2)7-5-12)42-26(14)25(37)27(17)39-3/h4-9,11,18-24,28-29,31-37H,10H2,1-3H3/t11-,18+,19-,20+,21+,22-,23+,24+,28+,29+/m0/s1
SMILES (Click to copy)
C1(OC)C(O)=C2OC(C3C=CC(OC)=CC=3)=CC(=O)C2=CC=1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)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
24th Sep 2021