| Phytochemical Name : Bergenin |
| PCNDIDB0052 |
| Pubchem CID : 66065 |
| Molecular formula: C14H16O9 |
| Canonical SMILES : COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O |
Synonymes : bergenin|477-90-7|Bengenin|Cuscutin|Corylopsin|Bergenin [JAN]|Bergeninum|Yanbaicaisu|CHEBI:69499|UNII-L84RBE4IDC|MFCD00133120|L84RBE4IDC|Bergenin (JAN)|NSC-661749|NSC-757796|(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one|(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one|vakerin|Peltophorin|C14H16O9|Ardisic Acid B|3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano(3,2-c)(2)benzopyran-6(H)-one|Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-|SR-01000789834|Bergenitol|Ardisinic acid|NSC661749|C14-H16-O9|Copylopsin,(S)|Bergenin, Cuscutin|(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-2,3,4,4a-tetrahydropyrano[3,2-c]isochromen-6(10bH)-one|Bergenin (Cuscutin)|Bergenin - Cuscutin|NSC 661749|BERGENIN [INCI]|BERGENIN [MI]|BERGENINUM [CHP]|BERGENIN [WHO-DD]|Bergenin, analytical standard|MLS001213180|SCHEMBL893721|CHEMBL273019|DTXSID4048141|HMS2876J03|3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one|HY-N0017|BDBM50349518|s2270|AKOS015896565|Bergenin, >=95% (LC/MS-ELSD)|CCG-208553|CS-4946|NSC 757796|NCGC00346587-01|NCGC00346587-02|NCGC00346587-16|4-Methoxy-2-(tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl)alpha-resorcylic acid gamma lactone|AS-16137|SMR000542844|B4349|SW219117-1|C09919|D01040|A827340|EN300-19651064|Q4891580|SR-01000789834-5|SR-01000789834-6|Z2037317034|(2S,4R,5S,6S,7R)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-13-methoxy-3,8-dioxatricyclo[8.4.0.0,2,7]tetradeca-1(10),11,13-trien-9-one|3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one hydrate|PYRANO(3,2-C)(2)BENZOPYRAN-6(2H)-ONE, 3,4,4A,10B-TETRAHYDRO-3,4,8,10-TETRAHYDROXY-2-(HYDROXYMETHYL)-9-METHOXY-(2R,3S,4S,4AR,10BS)-|Pyrano[3,2-c][2]benzopyran-6(2H)-one,3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.550 |
| Log Po/w (XLOGP3) : -0.970 |
| Log Po/w (WLOGP) : -1.530 |
| Log Po/w (MLOGP) : -1.670 |
| Log Po/w (SILICOS-IT) : -0.970 |
| Consensus Log Po/w : -0.720 |