| Phytochemical Name : Saikosaponin D |
| PCNDIDS0006 |
| Pubchem CID : 107793 |
| Molecular formula: C42H68O13 |
| Canonical SMILES : CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O |
Synonymes : Saikosaponin D|20874-52-6|Saikosaponin|Saikosaponins|beta-D-Galactopyranoside, (3beta,4alpha,16alpha)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-|UR635J3F00|(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|Saikosaponin D from Bupleurum falcatnum|SCHEMBL929710|UNII-UR635J3F00|CHEMBL3613719|DTXSID301317467|(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-(hydroxymethyl)-hexamethyl-[?]yl]oxy-6-methyl-tetrahydropyran-4-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|HY-N0250|MFCD09028095|s5454|AKOS016034270|CCG-270465|LS-144102|CS-0008281|Q-100262|Q27291219|.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,4.ALPHA.,16.ALPHA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL 6-DEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL-|beta-D-Galactopyranoside, (3beta,4alpha,16alpha)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.280 |
| Log Po/w (XLOGP3) : 2.520 |
| Log Po/w (WLOGP) : 1.780 |
| Log Po/w (MLOGP) : 0.180 |
| Log Po/w (SILICOS-IT) : 1.140 |
| Consensus Log Po/w : 1.780 |

