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164240440 molecular structure
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(2S,3R,4S,5R)-5-(((2S,3R,4S,5R,6R)-5-(((2R,3R,4S,5S)-5-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro -2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2- yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol

ChemBase ID: 184530
Molecular Formular: C28H48O23
Molecular Mass: 752.66692
Monoisotopic Mass: 752.2586378
SMILES and InChIs

SMILES:
C1(C(C(C(C(O1)CO)O)O)O)OC1C(C(C(OC1CO)OC1C(C(C(OC2C(C(C(OC2C)OC2C(C(C(OC2)O)O)O)O)O)OC1)O)O)O)O
Canonical SMILES:
OCC1OC(OC2COC(C(C2O)O)OC2C(C)OC(C(C2O)O)OC2COC(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O
InChI:
InChI=1S/C28H48O23/c1-6-22(15(35)20(40)26(45-6)48-9-4-43-24(42)17(37)12(9)32)50-25-18(38)13(33)10(5-44-25)49-27-21(41)16(36)23(8(3-30)47-27)51-28-19(39)14(34)11(31)7(2-29)46-28/h6-42H,2-5H2,1H3
InChIKey:
WXJZWZFCEXKSSG-UHFFFAOYSA-N

Cite this record

CBID:184530 http://www.chembase.cn/molecule-184530.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3R,4S,5R)-5-(((2S,3R,4S,5R,6R)-5-(((2R,3R,4S,5S)-5-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro -2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2- yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
IUPAC Traditional name
(2S,3R,4S,5R)-5-(((2S,3R,4S,5R,6R)-5-(((2R,3R,4S,5S)-5-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro -2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2- yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
PubChem SID
164240440
PubChem CID
5096227

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5096227 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer, n=27-28 expand Show data source
Classification
Rare Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

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