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Kigamicin B

CAT: 0013-GTR19255352-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255352-01Size:50 mg
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Description
Kigamicin B exhibits activity against gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA), with a minimum inhibitory concentration (MIC) ranging from 0.025 to 0.78 μg/mL.
CAS Number
680571-50-0
Field of Research
Infectious Disease & Virology
Smiles
OC1=C2C3=C (C4=C1C (=O) C5=C (O4) [C@@H] (O) [C@H] (O[C@@H]6O[C@H] (C) [C@@H] (O[C@@H]7O[C@H] (C) [C@@H] (O) CC7) CC6) C[C@@H]5O) OCO[C@@]3 (CC=8C2=C (O) C9=C (C8) C[C@]%10 (C) N (C9=O) CCO%10) [H]
Molecular Formula
C40H45NO15
Molecular Weight
779.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kigamicin B

Kigamicin B is a member of xanthones.

CAS Number680571-50-0
PubChem CID10417783
IUPAC Name2,6,9,30-tetrahydroxy-8-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-23-methyl-11,14,16,24-tetraoxa-27-azaoctacyclo[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]dotriaconta-1(32),2,5(10),12,19,21(29),30-heptaene-4,28-dione
Molecular FormulaC40H45NO15
Molecular Weight779.8
XLogP2.1
Topological Polar Surface Area212
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count4
Heavy Atom Count56
Formal Charge0
Complexity1600
SMILES
CC1C(CCC(O1)OC2CCC(OC2C)OC3CC(C4=C(C3O)OC5=C6C7=C(C8=C(C9=C(CC1(N(C9=O)CCO1)C)C=C8CC7OCO6)O)C(=C5C4=O)O)O)O
InChI
InChI=1S/C40H45NO15/c1-15-19(42)4-6-24(52-15)54-21-5-7-25(53-16(21)2)55-23-12-20(43)28-34(46)31-35(47)30-26-17(10-18-13-40(3)41(8-9-51-40)39(48)27(18)33(26)45)11-22-29(30)37(50-14-49-22)38(31)56-36(28)32(23)44/h10,15-16,19-25,32,42-45,47H,4-9,11-14H2,1-3H3
InChIKey
ZDEHLGNKHHJJAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kigamicin B
CAS: 680571-50-0
CID: 10417783
Formula: C40H45NO15
MW: 779.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight779.8
XLogP32.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count4
Exact Mass779.27891973
Monoisotopic Mass779.27891973
Topological Polar Surface Area212 Ų
Heavy Atom Count56
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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