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(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-((4-hydroxy-3-(1-hydroxy-2-((E)-(2-hydroxybenzylidene)amino)ethoxy)-1-((E)-(2-hydroxybenzylidene)amino)butan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl acetat
e
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ChemBase ID:
192333
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Molecular Formular:
C28H36N2O12
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Molecular Mass:
592.59164
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Monoisotopic Mass:
592.2268246
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SMILES and InChIs
SMILES:
C1(C(C(OC(C1O)CO)OC(C(OC(C/N=C/c1c(O)cccc1)O)CO)C/N=C/c1c(O)cccc1)O)OC(=O)C
Canonical SMILES:
OCC(C(OC1OC(CO)C(C(C1O)OC(=O)C)O)C/N=C/c1ccccc1O)OC(C/N=C/c1ccccc1O)O
InChI:
InChI=1S/C28H36N2O12/c1-16(33)39-27-25(37)23(15-32)42-28(26(27)38)41-21(12-29-10-17-6-2-4-8-19(17)34)22(14-31)40-24(36)13-30-11-18-7-3-5-9-20(18)35/h2-11,21-28,31-32,34-38H,12-15H2,1H3/b29-10+,30-11+
InChIKey:
OREYOWZCQPTWDV-QWYSZQTESA-N
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Cite this record
CBID:192333 http://www.chembase.cn/molecule-192333.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
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IUPAC name
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(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-((4-hydroxy-3-(1-hydroxy-2-((E)-(2-hydroxybenzylidene)amino)ethoxy)-1-((E)-(2-hydroxybenzylidene)amino)butan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl acetat
e
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IUPAC Traditional name
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(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-((4-hydroxy-3-(1-hydroxy-2-((E)-(2-hydroxybenzylidene)amino)ethoxy)-1-((E)-(2-hydroxybenzylidene)amino)butan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl acetat
e
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
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Description
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Polymer
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Show
data source
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Classification
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Rare Derivatives of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent