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Avilamycin B

CAT: 0013-GTR19249135-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249135-02Size:50 mg
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Description
Avilamycin B is an orally active antibiotic derived from Streptomyces viridochromogenes. It is used in research to study intestinal microbiota-related diseases, with applications in both in vitro antibacterial assays and in vivo animal models of gastrointestinal infection.
CAS Number
73240-30-9
Field of Research
Infectious Disease & Virology
Smiles
C[C@H]1O[C@@]2 ([C@]3 ([C@] ([C@@]1 (C (C) =O) O) (OCO3) [H]) [H]) O[C@@]4 ([C@@] (O2) (CO[C@@H] (O[C@H]5[C@@H] (OC) [C@@H] (O) [C@H] (O[C@H]6[C@H] (O) [C@@H] (O[C@H]7C[C@]8 (C) [C@@] ([C@@H] (C) O7) (OC9 (O8) C[C@H] (O) [C@H] (O[C@H]%10C[C@@H] (O) [C@H] (OC (=O) C%11=C (OC) C (Cl) =C (O) C (Cl) =C%11C) [C@@H] (C) O%10) [C@@H] (C) O9) [H]) [C@@H] (OC) [C@@H] (C) O6) [C@@H] (COC) O5) [C@@H]4OC (C) =O) [H]) [H]
Molecular Formula
C59H84Cl2O32
Molecular Weight
1376.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Avilamycin B

Unii-09Q4B44I8C has been reported in Streptomyces curacoi and Streptomyces cyaneus with data available.

CAS Number73240-30-9
PubChem CID71587265
IUPAC Name[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7-acetyloxy-7'-hydroxy-6'-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
Molecular FormulaC59H84Cl2O32
Molecular Weight1376.2
XLogP-0.4
Topological Polar Surface Area385
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count32
Rotatable Bond Count19
Heavy Atom Count93
Formal Charge0
Complexity2610
SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](OC3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@]([C@H](O9)C)(C(=O)C)O)OCO1)OC(=O)C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
InChI
InChI=1S/C59H84Cl2O32/c1-20-34(45(73-12)36(61)37(66)35(20)60)52(69)85-40-21(2)78-32(14-28(40)64)83-41-23(4)88-57(15-29(41)65)92-49-24(5)79-33(16-56(49,9)93-57)84-46-39(68)53(80-22(3)42(46)72-11)86-43-30(17-71-10)82-55(47(74-13)38(43)67)87-54-48(81-27(8)63)44-31(18-75-54)90-59(91-44)51-50(76-19-77-51)58(70,25(6)62)26(7)89-59/h21-24,26,28-33,38-44,46-51,53-55,64-68,70H,14-19H2,1-13H3/t21-,22-,23-,24-,26-,28-,29-,30-,31+,32+,33+,38+,39-,40-,41-,42+,43-,44-,46-,47+,48-,49-,50-,51-,53+,54+,55+,56-,57?,58+,59-/m1/s1
InChIKey
VVIAOPGTVSECTI-KVXQKUCTSA-N
Chemical Structure
2D Structure
2D structure of Avilamycin B
CAS: 73240-30-9
CID: 71587265
Formula: C59H84Cl2O32
MW: 1376.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1376.2
XLogP3-0.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count32
Rotatable Bond Count19
Exact Mass1374.4322759
Monoisotopic Mass1374.4322759
Topological Polar Surface Area385 Ų
Heavy Atom Count93
Formal Charge0
Complexity2610
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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