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164240858 molecular structure
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(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2S,3R,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahy dro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)t etrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol

ChemBase ID: 184948
Molecular Formular: C29H50O24
Molecular Mass: 782.6929
Monoisotopic Mass: 782.26920248
SMILES and InChIs

SMILES:
C1(C(C(C(C(O1)CO)O)O)O)OC1C(C(C(OC1CO)OC1C(C(C(OC1CO)OC1C(C(C(OC2C(C(C(OC2C)O)O)O)OC1)O)O)O)O)O)O
Canonical SMILES:
OCC1OC(OC2COC(C(C2O)O)OC2C(C)OC(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O)O
InChI:
InChI=1S/C29H50O24/c1-6-22(14(36)17(39)25(44)46-6)51-26-18(40)12(34)10(5-45-26)50-27-20(42)15(37)23(8(3-31)48-27)53-29-21(43)16(38)24(9(4-32)49-29)52-28-19(41)13(35)11(33)7(2-30)47-28/h6-44H,2-5H2,1H3
InChIKey:
GFMVCKSBOIYYOK-UHFFFAOYSA-N

Cite this record

CBID:184948 http://www.chembase.cn/molecule-184948.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2S,3R,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahy dro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)t etrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol
IUPAC Traditional name
(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2S,3R,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahy dro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)t etrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol
PubChem SID
164240858
PubChem CID
3307447

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3307447 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer, n=70-71 expand Show data source
Classification
Rare Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

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