| Phytochemical Name : Veranisatin B |
| PCNDIDV0018 |
| Pubchem CID : 127871 |
| Molecular formula: C16H20O9 |
| Canonical SMILES : CC1CCC2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O |
Synonymes : Veranisatin B|153445-93-3|Methyl (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-octahydro-1,5,6a-trihydroxy-9-methyl-2,2'-dioxospiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-5-carboxylate|methyl 5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate|Methyl octahydro-1,5,6a-trihydroxy-9-methyl-2,2'-dioxospiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-5-carboxylate (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-|Spiro(6H,4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-5-carboxylic acid, octahydro-1,5,6a-trihydroxy-9-methyl-2,2'-dioxo-, methyl ester, (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-|Spiro(6H-4,9a-methanocyclopent(d)-oxocin-6,3'-oxetane)-5-carboxylic acid, octahydro-2,2'-dioxo-9-methyl-1,5,6a-trihydroxy-, methyl ester, (1R-(1-alpha,4-beta,5-beta,6-beta,6a-beta,9-alpha,9a-beta))-|C16-H20-O9|DTXSID80934753|CHEBI:175569|LS-146201|Methyl 1,5,6a-trihydroxy-9-methyl-2,2'-dioxooctahydrospiro[4,9a-methanocyclopenta[d]oxocine-6,3'-oxetane]-5-carboxylate|methyl 5',7',11'-trihydroxy-2'-methyl-2,10'-dioxo-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0^{1,5}]dodecane]-7'-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.250 |
| Log Po/w (XLOGP3) : -1.380 |
| Log Po/w (WLOGP) : -1.730 |
| Log Po/w (MLOGP) : -0.520 |
| Log Po/w (SILICOS-IT) : -0.010 |
| Consensus Log Po/w : -0.480 |