5,7-dihydroxy-3-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

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

MolName	5,7-dihydroxy-3-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
MolecularFormula	C21H20O10
Smiles	OCC(C(C(C1O)O)O)OC1c(c(O)c(c(OC=C1c(cc2)ccc2O)c2)C1=O)c2O
InChI	InChI=1S/C21H20O10/c22-6-13-17(26)19(28)20(29)21(31-13)14-11(24)5-12-15(18(14)27)16(25)10(7-30-12)8-1-3-9(23)4-2-8/h1-5,7,13,17,19-24,26-29H,6H2
InChIK	ATZZRHLIRRPCRD-UHFFFAOYSA-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	high
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
Symmetricatoms	2
StereoCon	unknown chirality

Click to Load Molecule:

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

Request More Details | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments