Structure Database (LMSD)
Common Name
Syringetin 3-(4''',6'''-diacetylglucosyl)(1->3)-galactoside
Systematic Name
Synonyms
3D model of Syringetin 3-(4''',6'''-diacetylglucosyl)(1->3)-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)
CBUZTCOKZBSCLD-GNIRYWQPSA-N
InChi (Click to copy)
InChI=1S/C33H38O20/c1-11(35)47-10-20-29(48-12(2)36)25(42)26(43)32(51-20)52-30-23(40)19(9-34)50-33(27(30)44)53-31-24(41)21-15(38)7-14(37)8-16(21)49-28(31)13-5-17(45-3)22(39)18(6-13)46-4/h5-8,19-20,23,25-27,29-30,32-34,37-40,42-44H,9-10H2,1-4H3/t19-,20-,23+,25-,26-,27-,29-,30+,32+,33+/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]4[C@H](O)[C@@H](O)[C@H](OC(=O)C)[C@@H](COC(=O)C)O4)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
5
Aromatic Rings
3
Rotatable Bonds
13
Van der Waals Molecular Volume
634.36
Topological Polar Surface Area
304.17
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
20
logP
3.07
Molar Refractivity
178.35
Admin
Created at
-
Updated at
13th Dec 2021