Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04268"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Methylumbelliferyl Chitotriose"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
Coumarin Glycosides
Organic Compounds
Phenylpropanoids and Polyketides
Coumarins and Derivatives
Coumarin Glycosides
Trihexoses
N-acyl-alpha-hexosamines
O-glycosyl Compounds
Benzopyrans
Phenol Ethers
Alkyl Aryl Ethers
Pyranones and Derivatives
Oxanes
1,2-Diols
Secondary Carboxylic Acid Amides
Secondary Alcohols
Carboxylic Acids
Enolates
Primary Alcohols
Acetals
Polyamines
trisaccharide
n-acyl-alpha-hexosamine
o-glycosyl compound
glycosyl compound
glucosamine
amino sugar
benzopyran
phenol ether
alkyl aryl ether
pyranone
pyran
oxane
saccharide
benzene
secondary alcohol
polyol
secondary carboxylic acid amide
1,2-diol
carboxamide group
acetal
ether
carboxylic acid
carboxylic acid derivative
primary alcohol
enolate
polyamine
amine
alcohol
organonitrogen compound
logP
-1
ALOGPS
logS
-2
ALOGPS
Water Solubility
8.29e+00 g/l
ALOGPS
logP
-4.9
ChemAxon
IUPAC Name
N-[(2S,3S,4S,5R,6S)-2-{[(2S,3S,4R,5R,6S)-5-acetamido-6-{[(2S,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChemAxon
Traditional IUPAC Name
N-[(2S,3S,4S,5R,6S)-2-{[(2S,3S,4R,5R,6S)-5-acetamido-6-{[(2S,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxochromen-7-yl)oxy]oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChemAxon
Molecular Weight
785.7463
ChemAxon
Monoisotopic Weight
785.285461715
ChemAxon
SMILES
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC3=CC=C4C(C)=CC(=O)OC4=C3)O[C@H]2CO)O[C@H]1CO
ChemAxon
Molecular Formula
C34H47N3O18
ChemAxon
InChI
InChI=1S/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(46)26(45)19(9-38)51-33/h5-8,19-21,23-34,38-40,45-48H,9-11H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)/t19-,20-,21-,23-,24+,25+,26-,27-,28+,29+,30+,31+,32+,33-,34-/m0/s1
ChemAxon
InChIKey
InChIKey=BNYGKUQXGBVTRE-JWEWQUBASA-N
ChemAxon
Polar Surface Area (PSA)
310.59
ChemAxon
Refractivity
178.09
ChemAxon
Polarizability
77.32
ChemAxon
Rotatable Bond Count
12
ChemAxon
H Bond Acceptor Count
17
ChemAxon
H Bond Donor Count
10
ChemAxon
pKa (strongest acidic)
11.61
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
5
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936938
PubChem Substance
46507843
PDB
UMG
BE0003751
Lysozyme C
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Lysozyme C
LYZ
Human
UniProtKB
P61626
UniProt Accession
LYSC_HUMAN
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object