| Phytochemical Name : Echinacoside |
| PCNDIDE0001 |
| Pubchem CID : 5281771 |
| Molecular formula: C35H46O20 |
| Canonical SMILES : CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O |
Synonymes : Echinacoside|82854-37-3|UNII-I04O1DT48T|CHEBI:4745|I04O1DT48T|[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|DTXSID0033469|Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), beta-D-|AC1NQZ1Q|Echinacoside,(S)|MFCD00075695|SureCN525502|DSSTox_CID_13469|ECHINACOSIDE [USP-RS]|Echinacoside, 98% (HPLC)|SCHEMBL525502|CHEMBL510539|MEGxp0_001773|DTXCID8013469|Echinacoside, analytical standard|HMS3885K04|HY-N0020|Tox21_200945|C35H40O20|s3783|AKOS015897141|CCG-270479|CS-3400|DB15488|C35-H40-O20|NCGC00091915-01|NCGC00091915-02|NCGC00258498-01|AC-34699|AS-56376|LS-71510|CAS-82854-37-3|A12039|Q475631|Echinacoside, primary pharmaceutical reference standard|Echinacoside, United States Pharmacopeia (USP) Reference Standard|(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl 3-(3,4-dihydroxyphenyl)acrylate|.BETA.-D-GLUCOPYRANOSIDE, 2-(3,4-DIHYDROXYPHENYL)ETHYL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->3)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-, 4-(3-(3,4-DIHYDROXYPHENYL)-2-PROPENOATE)|[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|2-(3,4-dihydroxyphenyl)ethyl 6-deoxy-alpha-L-mannopyranosyl-(1-3)-[beta-D-glucopyranosyl-(1-6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside|3,4-Dihydroxyphenethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-(3,4-dihydroxycinnamoyl)-6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside|737806-07-4 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.680 |
| Log Po/w (XLOGP3) : -2.100 |
| Log Po/w (WLOGP) : -3.300 |
| Log Po/w (MLOGP) : -4.470 |
| Log Po/w (SILICOS-IT) : -3.200 |
| Consensus Log Po/w : -2.080 |