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MolName : 3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

MolecularFormula : C20H18O10

Smiles : OC[C@H]([C@@H]([C@H]1O)O)O[C@H]1OC1=C(c(cc2)ccc2O)Oc(cc(cc2O)O)c2C1=O

InChI : InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15+,17+,20-/m0/s1

InChIK : POQICXMTUPVZMX-XEQBAVFLSA-N

TotalMolweight : 418.353

Molweight : 418.353

MonoisotopicMass : 418.09

CLogP : 0.5089

CLogS : -2.616

H Acceptors : 10

H Donors : 6

TotalSurfaceArea : 278.55

Relative PSA : 0.43669

PolarSurfaceArea : 166.14

Druglikeness : -1.6541

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.43333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 4

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 14

Symmetricatoms : 2

StereoCon : this enantiomer