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Leucomycin A8

CAT: 0804-HY-N15421Size: 1 EachDry Ice: NoHazardous: No
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Description
Leucomycin A8 is an antibiotic which can be extracted from Streptomyces kitasatoensis. Leucomycin A8 can be utilized in infection research[1].
CAS Number
18361-50-7
UNSPSC
12352211
Target
Antibiotic
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
O=CC[C@@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(C[C@@H](OC(C)=O)[C@@H]1OC)=O)C)O)C)[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@](O)([C@H]([C@@H](O3)C)OC(C)=O)C)N(C)C)O
Molecular Formula
C39H63NO15
Molecular Weight
785.92
References & Citations
[1]SATOSHI OMURA, et al. THE CHEMISTRY OF LEUCOMYCINS. VI, STRUCTURES OF LEUCOMYCIN A4, A5, A6, A7, A8 AND A9. 1968 Volume 21 Issue 4 Pages 272-278
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Leucomycin A8

Leucomycin A8 is a macrolide.

CAS Number18361-50-7
PubChem CID5282327
IUPAC Name[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
Molecular FormulaC39H63NO15
Molecular Weight785.9
XLogP1.7
Topological Polar Surface Area206
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count55
Formal Charge0
Complexity1330
SMILES
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)O
InChI
InChI=1S/C39H63NO15/c1-21-18-27(16-17-41)35(36(48-10)29(52-25(5)42)19-30(45)49-22(2)14-12-11-13-15-28(21)44)55-38-33(46)32(40(8)9)34(23(3)51-38)54-31-20-39(7,47)37(24(4)50-31)53-26(6)43/h11-13,15,17,21-24,27-29,31-38,44,46-47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t21-,22-,23-,24+,27+,28+,29-,31+,32-,33-,34-,35+,36+,37+,38+,39-/m1/s1
InChIKey
ZGKBDJKFINKSNH-FRFMCBNZSA-N
Chemical Structure
2D Structure
2D structure of Leucomycin A8
CAS: 18361-50-7
CID: 5282327
Formula: C39H63NO15
MW: 785.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight785.9
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass785.41977030
Monoisotopic Mass785.41977030
Topological Polar Surface Area206 Ų
Heavy Atom Count55
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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