Structure Database (LMSD)

Common Name
L-Oleandrosyl-oleandolide
Systematic Name
Synonyms
LM ID
LMPK04000033
Status
Active
Exact Mass
Calculate m/z
530.3091
Formula
C27H46O10
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

String Representations

InChiKey (Click to copy)
WBLQSDZLJBWRPL-WQMXQYMNSA-N
InChi (Click to copy)
InChI=1S/C27H46O10/c1-12-10-27(11-34-27)25(31)15(4)22(29)13(2)17(6)36-26(32)16(5)24(14(3)21(12)28)37-20-9-19(33-8)23(30)18(7)35-20/h12-24,28-30H,9-11H2,1-8H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,27+/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](OC)C3)C)[C@H](C)[C@@H](O)[C@@H](C)C1)OC2

References

Other Databases

KEGG ID
C11992
CHEBI ID
29613
PubChem CID
443566

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 3
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 521.20
Topological Polar Surface Area 148.42
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 4.32
Molar Refractivity 137.42

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Created at
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Updated at
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