Structure Database (LMSD)
Common Name
Rebaudioside L
Systematic Name
Synonyms
3D model of Rebaudioside L
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
SNHLJSLCVSDFJQ-DJENTABTSA-N
InChi (Click to copy)
InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-38(67)33(62)28(57)21(14-53)72-44)25(49)6-10-50(18,17-49)78-45-40(39(30(59)22(15-54)73-45)75-42-36(65)32(61)27(56)20(13-52)71-42)76-43-37(66)34(63)29(58)23(74-43)16-69-41-35(64)31(60)26(55)19(12-51)70-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39+,40-,41-,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1
SMILES (Click to copy)
[C@@]123CC([C@](O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)CO)(CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=O)[C@@]1([H])CC2)C3)=C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
78
Rings
9
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
1003.16
Topological Polar Surface Area
463.63
Hydrogen Bond Donors
17
Hydrogen Bond Acceptors
28
logP
1.58
Molar Refractivity
267.42
Admin
Created at
22nd Apr 2021
Updated at
22nd Apr 2021