| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 38 | No |
3beta-(6-deoxy-3-O-methyl-alpha-L-glucopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
466-07-9; C08876; Digitoxigenin 3-(alpha-L-thevetoside); Neriifolin
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.17 | -4.68 | -16.12 | 3 | 8 | 0 | 114 | 534.69 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | cardiotonic, antineoplastic | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0442744A2; EP0442744A3; EP0551953B1; EP0737066A1; EP1021204A2; US3933791; US4182330; US5446070; US5656286; US5719197; US6024976; WO1995018603A1; WO1996040086A2; WO1999015210A2; WO2000048636A1 | IBM Patent Data |
| Patent Database Links | WO2007112288; WO2007130124 | ChEBI |
