Structure Database (LMSD)
Common Name
Eriodictyol 5-methyl ether 7-O-xylosyl-(1->4)-arabinoside
Systematic Name
7,3',4'-Trihydroxy-5-methoxyflavanone 7-O-xylosyl-(1->4)-arabinoside
Synonyms
3D model of Eriodictyol 5-methyl ether 7-O-xylosyl-(1->4)-arabinoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
DWVCLXSYYWRHGR-XBTYFXTGSA-N
InChi (Click to copy)
InChI=1S/C26H30O14/c1-35-17-5-11(6-18-20(17)14(29)7-16(39-18)10-2-3-12(27)13(28)4-10)38-25-24(34)22(32)19(9-37-25)40-26-23(33)21(31)15(30)8-36-26/h2-6,15-16,19,21-28,30-34H,7-9H2,1H3/t15-,16?,19+,21+,22+,23-,24-,25+,26+/m1/s1
SMILES (Click to copy)
C1(O[C@@H]2OC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C(OC)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
5
Aromatic Rings
2
Rotatable Bonds
6
Van der Waals Molecular Volume
479.34
Topological Polar Surface Area
220.27
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
14
logP
1.95
Molar Refractivity
135.17
Admin
Created at
-
Updated at
18th Jun 2024