| Phytochemical Name : Withanolide D |
| PCNDIDW0011 |
| Pubchem CID : 161671 |
| Molecular formula: C28H38O6 |
| Canonical SMILES : CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)C |
Synonymes : Withanolide D|30655-48-2|XY366XV8JT|Dihydrowithanolide D|WITHANOLIDE D(P)|NSC 179841|NSC-179841|5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone|CHEBI:10041|(4beta,5beta,6beta,22R)-4,20-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione|(1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one|(4beta,5beta,6beta,22R)-5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone|WithanolideD|WITHANIA SOMNIFERA|UNII-XY366XV8JT|SCHEMBL2231859|CHEMBL4288984|DTXSID901317760|C08842|Q27089384|(20R,22R)-5beta,6beta-epoxy-4beta,20-dihydroxy-1-oxowith-2-en-24-enolide|4beta,20alpha-dihydroxy-1-oxo-5beta,6beta-epoxy-20S,22R-witha-2,24-dienolide|(4 beta,5 beta,6 beta,22R)-5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone|[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-hydroxy-dimethyl-[?]one|5.BETA.-ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6.BETA.-EPOXY-4.BETA.,20,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (20S,22R)-|5beta-ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6beta-EPOXY-4beta,20,22-TRIHYDROXY-1-OXO-, delta-LACTONE, (20S,22R)-|ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6-EPOXY-4,20,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (4.BETA.,5.BETA.,6.BETA.,22R)-|ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6-EPOXY-4,20,22-TRIHYDROXY-1-OXO-, delta-LACTONE, (4beta,5beta,6beta,22R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.780 |
| Log Po/w (XLOGP3) : 3.120 |
| Log Po/w (WLOGP) : 3.500 |
| Log Po/w (MLOGP) : 2.750 |
| Log Po/w (SILICOS-IT) : 3.780 |
| Consensus Log Po/w : 3.390 |