Structure Database (LMSD)

Common Name
Oleandomycin
Systematic Name
Synonyms
LM ID
LMPK04000007
Status
Active
Exact Mass
Calculate m/z
687.419379
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)
RZPAKFUAFGMUPI-QESOVKLGSA-N
InChi (Click to copy)
InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/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]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C)[C@@H](C)C1)OC2

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 675.82
Topological Polar Surface Area 172.19
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 13
logP 5.92
Molar Refractivity 180.77

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Created at
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Updated at
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