3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Formula:C21H20O12 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one is not a drug-like molecule.

MolName	3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
MolecularFormula	C21H20O12
Smiles	OC[C@H]([C@@H]([C@@H]([C@H]1O)O)O[C@H]1OC1=C(c(cc2)cc(O)c2O)Oc(cc(cc2O)O)c2C1=O)O
InChI	InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16+,17-,19-,21+/m1/s1
InChIK	OPJZLUXFQFQYAI-WBKGFLQDSA-N
TotalMolweight	464.378
Molweight	464.378
MonoisotopicMass	464.09548
CLogP	-0.4042
CLogS	-2.191
H Acceptors	12
H Donors	8
TotalSurfaceArea	303.75
Relative PSA	0.48672
PolarSurfaceArea	206.6
Druglikeness	-1.5132
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42424
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	17
StereoCon	this enantiomer

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1 - 3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 2 - 3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

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