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(2S,3R,4S,5S,6R)-2-[[(1S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:C15H22O10 Mutagenic:high Tumorigenic:none Reproductive Effective:none (2S,3R,4S,5S,6R)-2-[[(1S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is not a drug-like molecule.
MolName(2S,3R,4S,5S,6R)-2-[[(1S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MolecularFormulaC15H22O10
SmilesOC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@@H]1OC=C[C@@H]2[C@H]1C1(CO)O[C@H]1[C@H]2O
InChIInChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6+,7-,8+,9-,10+,11+,12-,13-,14-,15?/m0/s1
InChIKLHDWRKICQLTVDL-GKQVSMBMSA-N
TotalMolweight362.33
Molweight362.33
MonoisotopicMass362.1213
CLogP-3.6103
CLogS-0.561
H Acceptors10
H Donors6
TotalSurfaceArea234.68
Relative PSA0.53797
PolarSurfaceArea161.6
Druglikeness-4.3947
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsoxiran/aziridine
Shape Index0.44
Fragments1
Non HAtoms25
NonCHAtoms10
Electronegative Atoms10
StereoCenters11
Rotatable Bond4
Rings Closures4
Small Rings5
Sp3Atoms23
StereoConunknown chirality

Request More Details | (2S,3R,4S,5S,6R)-2-[[(1S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol


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