Structure Database (LMSD)
Common Name
Syringetin 3-xyloside
Systematic Name
Synonyms
3D model of Syringetin 3-xyloside
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)
YIPNLIAJDSNFQM-BYAGKHBMSA-N
InChi (Click to copy)
InChI=1S/C22H22O12/c1-30-13-3-8(4-14(31-2)17(13)27)20-21(34-22-19(29)16(26)11(25)7-32-22)18(28)15-10(24)5-9(23)6-12(15)33-20/h3-6,11,16,19,22-27,29H,7H2,1-2H3/t11-,16+,19-,22+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=C(OC)C=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
391.38
Topological Polar Surface Area
190.58
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
12
logP
2.74
Molar Refractivity
117.05
Admin
Created at
-
Updated at
26th Sep 2021