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Glucoallosamidin B

CAT: 0931-TN10337-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10337-01Size:10 mg
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CAS Number
136236-42-5
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Glucoallosamidin B is a glycoside antibiotic identifiable in the Streptomyces species strain (Streptomycessp. SA-684) . It functions as an inhibitor of chitinase activity. Experiments demonstrate that Glucoallosamidin B significantly inhibits the chitinase of Candida albicans (ATCC 10231), with an IC50 value of 0.8 μg/mL.
Smiles
O=C(NC1C(O)C(O)C(OC1OC2C(O)C(NC(=O)C)C(OC2CO)OC3C(O)C4N=C(OC4C3CO)NC)COC)C
Molecular Formula
C25H42N4O14
Molecular Weight
622.619
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glucoallosamidin B

Glucoallosamidin B is a N-acyl-hexosamine.

CAS Number136236-42-5
PubChem CID139589249
IUPAC NameN-[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5S,6R)-6-[[(3aR,4R,5R,6R,6aS)-4-hydroxy-6-(hydroxymethyl)-2-methylimino-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-5-yl]oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide
Molecular FormulaC25H42N4O14
Molecular Weight622.6
XLogP-5.6
Topological Polar Surface Area259
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1010
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@@H]([C@H]4[C@@H]([C@H]3O)NC(=NC)O4)CO)CO)COC)O)O
InChI
InChI=1S/C25H42N4O14/c1-8(32)27-14-17(35)16(34)12(7-38-4)40-23(14)42-22-11(6-31)39-24(15(19(22)37)28-9(2)33)41-21-10(5-30)20-13(18(21)36)29-25(26-3)43-20/h10-24,30-31,34-37H,5-7H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)/t10-,11-,12+,13-,14-,15+,16-,17-,18-,19-,20+,21-,22-,23+,24+/m1/s1
InChIKey
MJUOPNSEEIKMFW-RSKALTJZSA-N
Chemical Structure
2D Structure
2D structure of Glucoallosamidin B
CAS: 136236-42-5
CID: 139589249
Formula: C25H42N4O14
MW: 622.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.6
XLogP3-5.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass622.26975203
Monoisotopic Mass622.26975203
Topological Polar Surface Area259 Ų
Heavy Atom Count43
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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