| Phytochemical Name : CID 5281441 |
| PCNDIDC0153 |
| Pubchem CID : 5281441 |
| Molecular formula: C23H28O10 |
| Canonical SMILES : CC1C(O1)(C)C(=O)OC2C3C(C4C(O4)(CCC=C(C2OC(=O)C)C(=O)OC)C)OC(=O)C3=C |
Synonymes : Enhydrin|33880-85-2|Methyl (1S,2R,4R,7E,9S,10S,11R)-9-acetyloxy-10-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate|C09405|DTXSID20415117|7.Xi.,10.xi.-Germacra-3,11(13)-diene-12,15-dioic acid, 9,10-epoxy-5,6,8-trihydroxy-, 12,8-lactone, methyl ester, 5-acetate 2,3-epoxy-2-methylbutyrate|Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylic acid, 6-(acetyloxy)-7-[[(2,3-dimethyloxiranyl)carbonyl]oxy]-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-9-oxo-, methyl ester, [1aR-[1aR*,4E,6S*,7S*(2R*,3R*),7aR*,10aS*,10bR*]]-|Q27106482 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.130 |
| Log Po/w (XLOGP3) : 1.370 |
| Log Po/w (WLOGP) : 1.160 |
| Log Po/w (MLOGP) : 0.860 |
| Log Po/w (SILICOS-IT) : 2.450 |
| Consensus Log Po/w : 1.790 |