LIPID MAPS

Structure Database (LMSD)

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Common Name

steviol-19-O-beta-D-glucoside

Systematic Name

Synonyms

Glucosyl steviol

LM ID

LMPR01040121

Formula

C₂₆H₄₀O₈

Exact Mass

Calculate m/z

480.27232

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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)

OQPOFZJZPYRNFF-CULFPKEHSA-N

InChi (Click to copy)

InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,17(25)6-10-26(14,32)13-25)7-4-8-24(16,3)22(31)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30,32H,1,4-13H2,2-3H3/t15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1

SMILES (Click to copy)

[C@@]123CC([C@](O)(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

152758

PDB ID

JDF

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 5

Aromatic Rings 0

Rotatable Bonds 4

Van der Waals Molecular Volume 461.60

Topological Polar Surface Area 138.75

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 8

logP 3.42

Molar Refractivity 124.69

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Created at

22nd Apr 2021

Updated at