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[(3R,5R,8S,9R,10R,13S,14R,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Formula:C25H34O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(3R,5R,8S,9R,10R,13S,14R,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is a drug-like molecule.
MolName[(3R,5R,8S,9R,10R,13S,14R,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
MolecularFormulaC25H34O7
SmilesC[C@](CC[C@H]([C@@H]1CC[C@]2(C[C@@H](CC3)OC(C)=O)O)[C@@]23C=O)([C@@H](CC2)C(CO3)=CC3=O)[C@]12O
InChIInChI=1S/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3/t17-,18-,19-,20-,22-,23+,24+,25+/m0/s1
InChIKJLZAERUVCODZQO-JFZSWNLJSA-N
TotalMolweight446.538
Molweight446.538
MonoisotopicMass446.230455
CLogP1.4446
CLogS-3.936
H Acceptors7
H Donors2
TotalSurfaceArea312.21
Relative PSA0.27328
PolarSurfaceArea110.13
Druglikeness-3.5174
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
StereoCenters8
Rotatable Bond4
Rings Closures5
Small Rings5
Sp3Atoms24
StereoConthis enantiomer

Request More Details | [(3R,5R,8S,9R,10R,13S,14R,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate


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