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

Formula:C21H20O9 Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one is not a drug-like molecule.

MolName	7-hydroxy-3-(4-hydroxyphenyl)-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
MolecularFormula	C21H20O9
Smiles	OC[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1c(c(OC=C1c(cc2)ccc2O)c(cc2)C1=O)c2O
InChI	InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17+,18-,19-,21+/m0/s1
InChIK	HKEAFJYKMMKDOR-FCIDTRQKSA-N
TotalMolweight	416.381
Molweight	416.381
MonoisotopicMass	416.110735
CLogP	-0.4408
CLogS	-2.436
H Acceptors	9
H Donors	6
TotalSurfaceArea	282.84
Relative PSA	0.39471
PolarSurfaceArea	156.91
Druglikeness	-2.3989
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	2
StereoCon	this enantiomer

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

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