Structure Database (LMSD)

OH O O O O O O O O HO O N O OH O O OH HO
Common Name
Tylosin
Systematic Name
Synonyms
LM ID
LMPK04000004
Formula
Exact Mass
Calculate m/z
915.519154
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
WBPYTXDJUQJLPQ-VMXQISHHSA-N
InChi (Click to copy)
InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
SMILES (Click to copy)
[C@H]1([C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@H](C=C(C)C=CC(=O)[C@H](C)C[C@@H]2CC=O)CO[C@@H]2O[C@@H]([C@@H](O)[C@@H](OC)[C@H]2OC)C)[C@H](O)[C@H]1N(C)C)O[C@@H]1O[C@H]([C@H](O)[C@@](O)(C)C1)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces fradiae (#1906)
Actinomycetia (#1760)
Novel fermentation products from Streptomyces fradiae: X-ray crystal structure of 5-O-mycarosyltylactone and proof of the absolute configuration of tylosin.,
J Antibiot (Tokyo), 1982
Pubmed ID: 7096197

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 64
Rings 4
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 902.15
Topological Polar Surface Area 246.95
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 18
logP 6.99
Molar Refractivity 239.53

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Created at
-
Updated at
29th Mar 2021