Structure Database (LMSD)
Common Name
Syringetin 3-(,6'''-acetylglucosyl)(1->6)-galactoside
Systematic Name
Synonyms
3D model of Syringetin 3-(,6'''-acetylglucosyl)(1->6)-galactoside
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)
ZYIUULILJKMVKJ-NSIJZHKESA-N
InChi (Click to copy)
InChI=1S/C31H36O19/c1-10(32)45-8-17-21(36)24(39)26(41)30(48-17)46-9-18-22(37)25(40)27(42)31(49-18)50-29-23(38)19-13(34)6-12(33)7-14(19)47-28(29)11-4-15(43-2)20(35)16(5-11)44-3/h4-7,17-18,21-22,24-27,30-31,33-37,39-42H,8-9H2,1-3H3/t17-,18-,21-,22+,24+,25+,26-,27-,30-,31+/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)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O4)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
5
Aromatic Rings
3
Rotatable Bonds
11
Van der Waals Molecular Volume
593.61
Topological Polar Surface Area
298.10
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
19
logP
2.50
Molar Refractivity
168.80
Admin
Created at
-
Updated at
13th Dec 2021