| Phytochemical Name : Melilotoside |
| PCNDIDM0042 |
| Pubchem CID : 5280759 |
| Molecular formula: C15H18O8 |
| Canonical SMILES : C1=CC=C(C(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
Synonymes : Melilotoside|trans-Melilotoside|618-67-7|CHEBI:17531|beta-D-Glucosyl-2-coumarate|UNII-M87W7715UB|(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid|M87W7715UB|trans-beta-D-glucosyl-2-hydroxycinnamic acid|trans-beta-D-Glucosyl-2-hydroxycinnamate|(2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]acrylic acid|(2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid|2-Propenoic acid, 3-[2-(.beta.-D-glucopyranosyloxy)phenyl]-, (E)-|2-PROPENOIC ACID, 3-(2-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-, (E)-|MELILOTOSIDE [MI]|CHEMBL374212|MEGxp0_001978|SCHEMBL3678323|ACon1_000252|DTXSID101024266|HY-N11173A|BDBM50476090|MFCD24849316|Melilotoside, >=95% (LC/MS-ELSD)|CS-0638865|TRANS-O-HYDROXYCINNAMIC ACID GLUCOSIDE|C05158|3-[2-(beta-D-Glucopyranosyloxy)phenyl]acrylic acid|BRD-K97478437-001-01-8|Q27102443|(2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoate|2-Propenoic acid, 3-(2-(beta-D-glucopyranosyloxy)phenyl)-, (E)-|2-PROPENOIC ACID, 3-(2-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-, (2E)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.530 |
| Log Po/w (XLOGP3) : -0.570 |
| Log Po/w (WLOGP) : -1.150 |
| Log Po/w (MLOGP) : -1.120 |
| Log Po/w (SILICOS-IT) : -0.720 |
| Consensus Log Po/w : -0.600 |