Structure Database (LMSD)

Common Name
Syrioside
Systematic Name
Synonyms
LM ID
LMST01120065
Formula
C35H48O16
Exact Mass
Calculate m/z
724.294241
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cardanolides and derivatives [ST0112]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asclepias syriaca (#48545)
Magnoliopsida (#3398)
Cardenolides in Asclepias syriaca Seeds: Exploring the Legacy of Tadeus Reichstein.,
J Nat Prod, 2024
Pubmed ID: 39691066

String Representations

InChiKey (Click to copy)
ZXMHACCBOVQQFZ-XVXKAICGSA-N
InChi (Click to copy)
InChI=1S/C35H48O16/c1-13-6-21(49-29-25(40)24(39)23(38)19(11-36)47-29)35(44)30(46-13)48-17-8-15-9-20-34(51-20)27(31(15,2)10-18(17)50-35)26(41)28(42)32(3)16(4-5-33(32,34)43)14-7-22(37)45-12-14/h7,13,15-21,23-27,29-30,36,38-41,43-44H,4-6,8-12H2,1-3H3/t13-,15-,16-,17-,18-,19-,20+,21-,23-,24+,25-,26+,27-,29+,30+,31+,32+,33-,34+,35+/m1/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(C[C@@H]3O[C@@]43[C@]2([H])[C@H](O)C(=O)[C@@]2(C)[C@]4(O)CC[C@]2([H])C2=CC(=O)OC2)C[C@H]2O[C@]3([H])O[C@H](C)C[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@]3(O)O[C@H]12

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 9
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 635.54
Topological Polar Surface Area 254.01
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 16
logP 2.79
Molar Refractivity 173.33

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Created at
2nd Jan 2025
Updated at
2nd Jan 2025