Structure Database (LMSD)

Common Name
Rebaudioside L
Systematic Name
Synonyms
LM ID
LMPR01040130
Status
Active
Exact Mass
Calculate m/z
1128.48362
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Stevia rebaudiana (#55670)
Magnoliopsida (#3398)
Steviol glycosides: chemical diversity, metabolism, and function.,
J Nat Prod, 2013
Pubmed ID: 23713723

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