3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Formula:C21H20O10 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one is not a drug-like molecule.

MolName	3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
MolecularFormula	C21H20O10
Smiles	OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1c(c(OC=C1c(cc2)cc(O)c2O)c(cc2)C1=O)c2O
InChI	InChI=1S/C21H20O10/c22-6-14-17(27)18(28)19(29)21(31-14)15-12(24)4-2-9-16(26)10(7-30-20(9)15)8-1-3-11(23)13(25)5-8/h1-5,7,14,17-19,21-25,27-29H,6H2/t14-,17+,18-,19-,21+/m1/s1
InChIK	GARZMRVWLORUSR-URUIJOEXSA-N
TotalMolweight	432.38
Molweight	432.38
MonoisotopicMass	432.10565
CLogP	-0.7865
CLogS	-2.14
H Acceptors	10
H Donors	7
TotalSurfaceArea	289.19
Relative PSA	0.43134
PolarSurfaceArea	177.14
Druglikeness	-2.3989
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
StereoCon	this enantiomer

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1 - 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | 2 - 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

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