16β-(Acetyloxy)-3β-{...
Check on isomerdesign
Data
InChI: InChI=1S/C40H60N4O10/c1-24(45)53-31-22-40(51)29-14-13-26-21-27(16-18-38(26,2)28(29)17-19-39(40,3)35(31)25-12-15-33(47)52-23-25)54-34(48)11-7-5-4-6-10-32(46)44-30(36(49)50)9-8-20-43-37(41)42/h12,15,23,26-31,35,51H,4-11,13-14,16-22H2,1-3H3,(H,44,46)(H,49,50)(H4,41,42,43)
Synonyms: N2-(8-{[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-(Acetyloxy)-14-hydroxy-10,13-dimethyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy}-8-oxooctanoyl)-N5-(diaminomethylidene)-L-ornithine,16β-(Acetyloxy)-3β-{[8-({(1S)-1-carboxy-4-[(diaminomethylidene)amino]butyl}amino)-8-oxooctanoyl]oxy}-14-hydroxy-5β-bufa-20,22-dienolide,(3β,5β,16β)-16-(Acetyloxy)-3-{[8-({(1S)-1-carboxy-4-[(diaminomethylidene)amino]butyl}amino)-8-oxooctanoyl]oxy}-14-hydroxybufa-20,22-dienolide,(2S)-2-[(8-{[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-(Acetyloxy)-14-hydroxy-10,13-dimethyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy}-8-oxooctanoyl)amino]-5-[(diaminomethylidene)amino]pentanoic acid
Estimated data
Solubility: -5.833 (log(S) in mol/L prediction using SolTranNet)
Addictivity Prediction: 35.7% (prediction based on www.mdpi.com)
