Acovenosigenin A
PubChem CID: 10385736
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Acovenosigenin A, Acovenosigenin, 1.beta.-Hydroxydigitoxigenin, Digitoxigenin, 1.beta.-hydroxy-, 5.beta.-Card-20(22)-enolide, 1.beta.,3.beta.,14-trihydroxy-, Card-20(22)-enolide, 1,3,14-trihydroxy-, (1.beta.,3.beta.,5.beta.)-, 639-15-6, 3-((1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one, 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 1beta-Hydroxydigitoxigenin, Digitoxigenin, 1beta-hydroxy-, CHEMBL459489, 1,3,14-Trihydroxycard-20(22)-enolide #, 5beta-Card-20(22)-enolide, 1beta,3beta,14-trihydroxy-, Card-20(22)-enolide, 1,3,14-trihydroxy-, (1beta,3beta,5beta)- |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 718.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C23H34O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CSKIDXJFNAYMTR-IKHIKNNGSA-N |
| Fcsp3 | 0.8695652173913043 |
| Logs | -3.88 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.695 |
| Compound Name | Acovenosigenin A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 390.241 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.241 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 390.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.247324000000001 |
| Inchi | InChI=1S/C23H34O5/c1-21-7-5-17-18(4-3-14-10-15(24)11-19(25)22(14,17)2)23(21,27)8-6-16(21)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16-,17+,18-,19-,21-,22+,23+/m1/s1 |
| Smiles | C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@H]5[C@@]3([C@@H](C[C@@H](C5)O)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Streptocaulon Juventas (Plant) Rel Props:Source_db:cmaup_ingredients