| Phytochemical Name : Gentiopicroside |
| PCNDIDG0055 |
| Pubchem CID : 88708 |
| Molecular formula: C16H20O9 |
| Canonical SMILES : C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : Gentiopicroside|Gentiopicrin|20831-76-9|UNII-0WE09Z21RC|0WE09Z21RC|CHEBI:5321|DTXSID40878043|EINECS 244-070-2|NSC 606402|NSC-606402|Gentiopicroside, >=98% (HPLC)|Gentiopicrin,(S)|(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one|(5R,6S)-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-5-vinyl-5,6-dihydropyrano[3,4-c]pyran-1(3H)-one|GENTIOPICRIN [MI]|MLS002473254|SCHEMBL154304|CHEMBL508320|MEGxp0_000872|ACon1_001284|DTXCID501016106|HMS2198G10|EX-A6716|HY-N0494|MFCD00075700|s3777|ZB1867|AKOS015896721|CCG-268110|LMPR0102070009|NCGC00180669-01|1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-5,6-dihydro-, (5R-trans)-|AC-20248|AC-33960|AS-74360|SMR001397341|CS-0009015|G0576|C09782|A814958|BRD-K33131085-001-01-5|Q27106718|(5R-trans)-6-(b-D-glucopyranosyloxy)-5,6-dihydro-5-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one|(5beta-trans)-6-(beta-D-Glucopyranosyloxy)-5,6-dihydro-5-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one|(5R,6S)-5-ETHENYL-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,6-DIHYDRO-1H,3H-PYRANO(3,4-C)PYRAN-1-ONE|(5R,6S)-5-ethenyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,5H,6H-pyrano[3,4-c]pyran-1-one|(5R,6S)-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-5,6-dihydropyrano[3,4-c]pyran-1(3H)-one|(5R-trans)-6-(beta-D-Glucopyranosyloxy)-5,6-dihydro-5-vinyl-1H,3H-pyrano(3,4-c)pyran-1-one|1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-5,6-dihydro-, (5R,6S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.510 |
| Log Po/w (XLOGP3) : -1.230 |
| Log Po/w (WLOGP) : -1.670 |
| Log Po/w (MLOGP) : -1.420 |
| Log Po/w (SILICOS-IT) : -1.210 |
| Consensus Log Po/w : -0.800 |