Structure Database (LMSD)

Common Name
Troleandomycin
Systematic Name
Synonyms
LM ID
LMPK04000042
Status
Active
Exact Mass
Calculate m/z
813.451074
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)
LQCLVBQBTUVCEQ-QTFUVMRISA-N
InChi (Click to copy)
InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1
SMILES (Click to copy)
[C@@]12(C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O[C@@H]3O[C@H]([C@H](OC(=O)C)[C@@H](OC)C3)C)[C@H](C)[C@H]([C@@H](C)C1)O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1OC(=O)C)C)OC2

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 57
Rings 4
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 798.07
Topological Polar Surface Area 190.40
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 16
logP 7.63
Molar Refractivity 209.41

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Created at
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Updated at
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