| Phytochemical Name : Gaultherin |
| PCNDIDG0038 |
| Pubchem CID : 5315244 |
| Molecular formula: C19H26O12 |
| Canonical SMILES : COC(=O)C1=CC=CC=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O |
Synonymes : Gaultherin|MONOTROPITOSIDE|490-67-5|Monotropitin|Monotropitosid|UNII-39519L80TD|39519L80TD|methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate|Monotropeoside|methylsalicylate-GX|GAULTHERIN [MI]|SCHEMBL615462|MEGxp0_000158|ACon1_000261|DTXSID20878440|CHEBI:139449|methylsalicylate beta-primeveroside|HY-N1965|AKOS040757683|NCGC00180731-02|MS-28045|CS-0018284|METHYL SALICYLATE .BETA.-PRIMEVEROSIDE|BRD-K54142860-001-01-7|Q27256859|methylsalicylate O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside|METHYL 2-O-.BETA.-D-XYLOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSYLSALICYLATE|BENZOIC ACID, 2-((6-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, METHYL ESTER|NCGC00180731-02_C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.770 |
| Log Po/w (XLOGP3) : -2.460 |
| Log Po/w (WLOGP) : -2.880 |
| Log Po/w (MLOGP) : -2.460 |
| Log Po/w (SILICOS-IT) : -2.340 |
| Consensus Log Po/w : -1.670 |