Structure Database (LMSD)
Common Name
Genistein 7,4'-bis(O-glucosylapioside)
Systematic Name
Synonyms
- Sarothamnoside
3D model of Genistein 7,4'-bis(O-glucosylapioside)
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)
LOSLKNDENQPHQW-PRQVDKMXSA-N
InChi (Click to copy)
InChI=1S/C37H46O23/c38-7-20-24(42)26(44)28(46)32(59-20)53-10-36(50)12-55-34(30(36)48)57-15-3-1-14(2-4-15)17-9-52-19-6-16(5-18(40)22(19)23(17)41)58-35-31(49)37(51,13-56-35)11-54-33-29(47)27(45)25(43)21(8-39)60-33/h1-6,9,20-21,24-35,38-40,42-51H,7-8,10-13H2/t20-,21-,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@](CO[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)(O)CO1)C1C=C(O)C2C(=O)C(C3C=CC(O[C@H]4[C@H](O)[C@](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)(O)CO4)=CC=3)=COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
60
Rings
7
Aromatic Rings
3
Rotatable Bonds
13
Van der Waals Molecular Volume
710.49
Topological Polar Surface Area
375.32
Hydrogen Bond Donors
13
Hydrogen Bond Acceptors
23
logP
1.64
Molar Refractivity
202.91
Admin
Created at
-
Updated at
18th Oct 2021