| ImmunCR Id : | ICR17 |
| Chemical Name : | Macrophyllosaponin B |
| Plant Source : | Astragalus oleifolius |
| Nutraceutical information : | --- |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Attenuation of Th1/Th2, Cytokine Imbalance, stimulate IFN-γ, IL-4 production, enhanced splenocyte proliferation |
| Description : | The major saponin of the most active species Astragalus oleifolius, the plant being used as part of traditional Chinese medicine for treatment of leukemia, diabetes, uterine cancer, etc. |
| IUPAC Name | 2-[[(1S,3S,4S,6S,10S,12S,16R)-4,10-dihydroxy-15-[(2R,5S)-6-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-methyloxane-3,4,5-triol |
| SMILES | CC1C(C(C(C(O1)OC2CC(C34CC35CCC6(C(CCC6(C5C(CC4C2(C)C)O)C)C(C)CCC(C(C)(C)O)OC7C(C(C(CO7)O)O)O)C)O)O)O)O |
| Formula | C41H70O13 |
| InchiKey | JMQANMQRQDNDDA-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroidal glycosides |
| LogP | 0.995 |
| Molecular weight | 770.987 |
| Hydrogen Bond Acceptor | 13 |
| Hydrogen Bond Donor | 9 |
| Polar surface area | 223.059 |
| No. of rotatable bonds | 9 |
| Number of Aromatic Rings | 0 |
| Number of rings | 7 |
| Absorption level | Very low |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
