Structure Database (LMSD)

Common Name
L-Olivosyl-oleandolide
Systematic Name
Synonyms
LM ID
LMPK04000032
Status
Active
Exact Mass
Calculate m/z
516.29345
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)
SBBLTTCUMKGRJI-GYHYDPCPSA-N
InChi (Click to copy)
InChI=1S/C26H44O10/c1-11-9-26(10-33-26)24(31)14(4)21(29)12(2)16(6)35-25(32)15(5)23(13(3)20(11)28)36-19-8-18(27)22(30)17(7)34-19/h11-23,27-30H,8-10H2,1-7H3/t11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,26+/m0/s1
SMILES (Click to copy)
[C@@]12(C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](O)C3)C)[C@H](C)[C@@H](O)[C@@H](C)C1)OC2

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 503.90
Topological Polar Surface Area 159.42
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 3.67
Molar Refractivity 132.63

Admin

Created at
-
Updated at
-