Compound Summary
Compound Information
ligstroside
Compound Name: | ligstroside |
Compound CID: | 14136859 |
Synonyms: | ligstroside Ligustroside Ligusroside 35897-92-8 UNII-83S9SA69C5 More... |
Iupac Name: | methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate |
InChI: | InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1 |
InChIKey: | GMQXOLRKJQWPNB-MVVLSVRYSA-N |
Canonical Smiles: | CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O |
Isomeric Smiles: | C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O |
Molecular Weight: | 524.5 |
Molecular Formula: | C25H32O12 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ligstroside
Molecular Weight: | 524.5 |
Molecular Formula: | C25H32O12 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 11 |
Heavy Atom Count: | 37 |
Complexity: | 834 |
Synonyms
ligstroside
| ligstroside | ligstroside |
|---|---|
ligstroside |
Ligustroside |
Ligusroside |
35897-92-8 |
UNII-83S9SA69C5 |
83S9SA69C5 |
(-)-ligstroside |
MEGxp0_000487 |
CHEMBL1086877 |
ACon1_000577 |
CHEBI:149585 |
ZINC38143575 |
NCGC00168945-01 |
BRD-K49137267-001-01-4 |
Q27269447 |
(2S)-2beta-(beta-D-Glucopyranosyloxy)-3-ethylidene-4alpha-2-2-(4-hydroxyphenyl)ethoxy-2-oxoethyl-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester |
methyl (2S,3E,4S)-3-ethylidene-4-{2-2-(4-hydroxyphenyl)ethoxy-2-oxoethyl}-2-{(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxy}-3,4-dihydro-2H-pyran-5-carboxylate |
Experimental Data
ligstroside
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mus musculus | 6.25 | mg/kg | 85 | S | NMRI | FEMALES | 32084452 | Active |
Experimental Data Visualization
ligstroside
Statistics Data
ligstroside
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Mus musculus | 85 | 1 | 1 |
Statistics Data Visualization
ligstroside
