Structure Database (LMSD)

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

Classification

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

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

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Created at
22nd Apr 2021
Updated at
22nd Apr 2021