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Aldgamycin E

CAT: 0013-GTR19199535-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199535-02Size:50 mg
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Description
Aldgamycin E is a neutral macrolide antibiotic isolated from Streptomyces lavendulae. Its methanolysis yields methyl algarosides A and B. This compound is used in research to study macrolide biosynthesis and its antimicrobial mechanisms in vitro.
CAS Number
11011-06-6
Field of Research
Infectious Disease & Virology
Smiles
[H][C@]12CCC (=O) [C@H] (C) C[C@H] (C) [C@H] (O[C@@H]3O[C@H] (C) C[C@@]4 (OC (=O) O[C@H]4C) [C@H]3O) [C@@H] (C) \C=C\C (=O) O[C@H] (C) [C@@H] (CO[C@@H]3O[C@H] (C) [C@@H] (O) [C@@H] (OC) [C@H]3OC) [C@]1 ([H]) O2 |t:31|
Molecular Formula
C37H58O15
Molecular Weight
742.856
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aldgamycin E

Aldgamycin E is a macrolide.

CAS Number11011-06-6
PubChem CID102425548
IUPAC Name(6E)-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[[(4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione
Molecular FormulaC37H58O15
Molecular Weight742.8
XLogP2.8
Topological Polar Surface Area187
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity1280
SMILES
C[C@@H]1C[C@]2([C@@H](OC(=O)O2)C)[C@H]([C@@H](O1)OC3C(CC(C(=O)CCC4C(O4)C(C(OC(=O)/C=C/C3C)C)CO[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C)O)OC)OC)C)C)O
InChI
InChI=1S/C37H58O15/c1-17-10-13-27(39)47-21(5)24(16-45-34-32(44-9)31(43-8)28(40)22(6)48-34)30-26(50-30)12-11-25(38)18(2)14-19(3)29(17)51-35-33(41)37(15-20(4)46-35)23(7)49-36(42)52-37/h10,13,17-24,26,28-35,40-41H,11-12,14-16H2,1-9H3/b13-10+/t17?,18?,19?,20-,21?,22-,23+,24?,26?,28-,29?,30?,31-,32-,33+,34-,35+,37+/m1/s1
InChIKey
OQBVBRTUEKMEAX-LKOMEXITSA-N
Chemical Structure
2D Structure
2D structure of Aldgamycin E
CAS: 11011-06-6
CID: 102425548
Formula: C37H58O15
MW: 742.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight742.8
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass742.37757114
Monoisotopic Mass742.37757114
Topological Polar Surface Area187 Ų
Heavy Atom Count52
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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