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164239299 molecular structure
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(2R,3R,4S,5R,6R)-5-(((2R,3R,4S,5S)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,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-p yran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro xy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol

ChemBase ID: 183389
Molecular Formular: C35H60O29
Molecular Mass: 944.8335
Monoisotopic Mass: 944.3220259
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(OC1CO)OC1C(C(C(OC2C(C(C(OC2C)O)O)O)OC1)O)O)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)OC1OC(CO)C(C(C1O)O)O)O)O
InChI:
InChI=1S/C35H60O29/c1-7-26(16(43)20(47)30(53)55-7)61-31-21(48)14(41)12(6-54-31)60-32-23(50)17(44)27(9(3-37)57-32)63-34-25(52)19(46)29(11(5-39)59-34)64-35-24(51)18(45)28(10(4-38)58-35)62-33-22(49)15(42)13(40)8(2-36)56-33/h7-53H,2-6H2,1H3
InChIKey:
OEICWBBEJVLRPN-UHFFFAOYSA-N

Cite this record

CBID:183389 http://www.chembase.cn/molecule-183389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4S,5R,6R)-5-(((2R,3R,4S,5S)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,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-p yran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro xy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol
IUPAC Traditional name
(2R,3R,4S,5R,6R)-5-(((2R,3R,4S,5S)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,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-p yran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro xy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol
PubChem SID
164239299
PubChem CID
3745497

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3745497 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer, n=116-117 expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

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