Menu

5,6,9,11,19,20,23,25,31-nonahydroxy-29-oxahexacyclo[20.6.2.18,12.02,7.016,21.026,30]hentriaconta-1(28),2(7),3,5,8(31),9,11,16(21),17,19,22,24,26(30)-tridecaene-13,15,27-trione

Formula:C30H18O13 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5,6,9,11,19,20,23,25,31-nonahydroxy-29-oxahexacyclo[20.6.2.18,12.02,7.016,21.026,30]hentriaconta-1(28),2(7),3,5,8(31),9,11,16(21),17,19,22,24,26(30)-tridecaene-13,15,27-trione is not a drug-like molecule.
MolName5,6,9,11,19,20,23,25,31-nonahydroxy-29-oxahexacyclo[20.6.2.18,12.02,7.016,21.026,30]hentriaconta-1(28),2(7),3,5,8(31),9,11,16(21),17,19,22,24,26(30)-tridecaene-13,15,27-trione
MolecularFormulaC30H18O13
SmilesOc1ccc(C(Oc(c2c(cc3O)O)c3-c(c(O)c(cc3)O)c3C(CC(c(c(O)cc(O)c3-4)c3O)=O)=O)=CC2=O)c4c1O
InChIInChI=1S/C30H18O13/c31-11-3-1-9-13(33)5-14(34)23-15(35)6-17(37)25(29(23)42)22-10(2-4-12(32)28(22)41)20-8-19(39)24-16(36)7-18(38)26(30(24)43-20)21(9)27(11)40/h1-4,6-8,31-32,35-38,40-42H,5H2
InChIKSMWPHUUEXZVIGB-UHFFFAOYSA-N
TotalMolweight586.46
Molweight586.46
MonoisotopicMass586.074745
CLogP2.7995
CLogS-6.436
H Acceptors13
H Donors9
TotalSurfaceArea384.41
Relative PSA0.43448
PolarSurfaceArea242.51
Druglikeness-4.7006
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.30233
Fragments1
Non HAtoms43
NonCHAtoms13
Electronegative Atoms13
Rings Closures6
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms11
StereoConunknown chirality

Request More Details | 5,6,9,11,19,20,23,25,31-nonahydroxy-29-oxahexacyclo[20.6.2.18,12.02,7.016,21.026,30]hentriaconta-1(28),2(7),3,5,8(31),9,11,16(21),17,19,22,24,26(30)-tridecaene-13,15,27-trione


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments