| Phytochemical Name : Veranisatin A |
| PCNDIDV0017 |
| Pubchem CID : 127870 |
| Molecular formula: C16H22O8 |
| Canonical SMILES : CC1CCC2(C13CC(C(C24COC4=O)(COC)O)OC(=O)C3O)O |
Synonymes : Veranisatin A|153445-92-2|(1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-Hexahydro-1,5,6a-trihydroxy-5-(methoxymethyl)-9-methylspiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione|5,7,11-trihydroxy-7-(methoxymethyl)-2-methylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione|Hexahydro-1,5,6a-trihydroxy-5-(methoxymethyl)-9-methylspiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-|Spiro(6H-4,9a-methanocyclopent(d)-oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-5-(methoxymethyl)-9-methyl-1,5,6a-trihydroxy-, (1R-(1-alpha,4-beta,5-beta,6-beta,6a- beta,9-alpha,9a-beta))-|Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-1,5,6a-trihydroxy-5-(methoxymethyl)-9-methyl-, (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-|DTXSID20934752|CHEBI:175343|LS-146204|1,5,6a-trihydroxy-5-(methoxymethyl)-9-methylhexahydrospiro[4,9a-methanocyclopenta[d]oxocine-6,3'-oxetane]-2,2'(1H)-dione|5',7',11'-trihydroxy-7'-(methoxymethyl)-2'-methyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0^{1,5}]dodecane]-2,10'-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.290 |
| Log Po/w (XLOGP3) : -1.430 |
| Log Po/w (WLOGP) : -1.260 |
| Log Po/w (MLOGP) : -0.450 |
| Log Po/w (SILICOS-IT) : 0.440 |
| Consensus Log Po/w : -0.280 |