Structure Database (LMSD)
Common Name
Naringin 4'-glucoside
Systematic Name
(2S) -7- [ [ 2-O- (6-Deoxy-α-L-mannopyranosyl) -β-D-glucopyranosyl ] oxy ] -2,3-dihydro-5-hydroxy-2α- [ 4- (β-D-glucopyranosyloxy) phenyl ] -4H-1-benzopyran-4-one
Synonyms
3D model of Naringin 4'-glucoside
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)
FHXACOPOJBXRQQ-NDKCODNESA-N
InChi (Click to copy)
InChI=1S/C33H42O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-7,11,17,19-20,22-36,38-45H,8-10H2,1H3/t11-,17-,19+,20+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32+,33+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2O[C@]([H])(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)CC(=O)C2=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
6
Aromatic Rings
2
Rotatable Bonds
9
Van der Waals Molecular Volume
632.03
Topological Polar Surface Area
312.49
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
19
logP
1.17
Molar Refractivity
175.54
Admin
Created at
-
Updated at
17th Jun 2024