Structure Database (LMSD)
Common Name
6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin
Systematic Name
Synonyms
3D model of 6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin
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)
GHHBRJNUNAWXEV-NWSNSFLWSA-N
InChi (Click to copy)
InChI=1S/C28H32O15/c1-40-25-16(27-23(38)21(36)18(33)13(7-29)42-27)20(35)15-11(32)6-12(9-2-4-10(31)5-3-9)41-26(15)17(25)28-24(39)22(37)19(34)14(8-30)43-28/h2-6,13-14,18-19,21-24,27-31,33-39H,7-8H2,1H3/t13-,14-,18-,19+,21+,22+,23-,24-,27+,28+/m1/s1
SMILES (Click to copy)
C1(OC)=C([C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
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
264.34
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
15
logP
1.67
Molar Refractivity
148.43
Admin
Created at
-
Updated at
22nd Dec 2021