Structure Database (LMSD)

Common Name
Pikromycin
Systematic Name
Synonyms
LM ID
LMPK04000038
Status
Active
Exact Mass
Calculate m/z
525.330169
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)
UZQBOFAUUTZOQE-VSLWXVDYSA-N
InChi (Click to copy)
InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
SMILES (Click to copy)
[C@H]1(O[C@@H]2[C@H](C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@](O)(C)C=CC(=O)[C@H](C)C[C@@H]2C)C)[C@H](O)[C@H](C[C@@H](C)O1)N(C)C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 539.00
Topological Polar Surface Area 126.74
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
logP 4.52
Molar Refractivity 142.11

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Created at
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Updated at
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