| Phytochemical Name : Calceolarioside A |
| PCNDIDC0011 |
| Pubchem CID : 5273566 |
| Molecular formula: C23H26O11 |
| Canonical SMILES : C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O |
Synonymes : Calceolarioside A|84744-28-5|Calceolarioside|[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|CHEMBL481635|beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-|D0L8CK|MEGxp0_000507|ACon1_000369|CHEBI:177500|DTXSID001316527|BDBM50259819|AKOS040761446|NCGC00169142-01|XC180735|Calceolarioside A, >=95% (LC/MS-ELSD)|[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.190 |
| Log Po/w (XLOGP3) : 0.590 |
| Log Po/w (WLOGP) : 0.020 |
| Log Po/w (MLOGP) : -1.010 |
| Log Po/w (SILICOS-IT) : 0.310 |
| Consensus Log Po/w : 0.420 |