Structure Database (LMSD)
Common Name
Apigenin 7-rhamnosyl-(1->6)-(4''-E-p-methoxycinnamoylglucoside)
Systematic Name
Synonyms
3D model of Apigenin 7-rhamnosyl-(1->6)-(4''-E-p-methoxycinnamoylglucoside)
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)
JOQVXRRIIZHPMR-AOWSKXLJSA-N
InChi (Click to copy)
InChI=1S/C37H38O16/c1-17-30(42)31(43)33(45)36(49-17)48-16-27-35(53-28(41)12-5-18-3-10-21(47-2)11-4-18)32(44)34(46)37(52-27)50-22-13-23(39)29-24(40)15-25(51-26(29)14-22)19-6-8-20(38)9-7-19/h3-15,17,27,30-39,42-46H,16H2,1-2H3/b12-5+/t17-,27+,30-,31+,32+,33+,34+,35+,36+,37+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(/C=C/C3C=CC(OC)=CC=3)=O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C=C2OC(C3C=CC(O)=CC=3)=CC(=O)C2=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
6
Aromatic Rings
4
Rotatable Bonds
11
Van der Waals Molecular Volume
637.22
Topological Polar Surface Area
248.41
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
16
logP
5.22
Molar Refractivity
188.49
Admin
Created at
-
Updated at
22nd Dec 2021