| ImmunCR Id : | ICR123 |
| Chemical Name : | Triterpenoid saponin tub |
| Plant Source : | Centella asiatica Linn. (Umbelliferae) |
| Nutraceutical information : | --- |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | --- |
| Description : | Triterpenoid saponin tub is a natural product found in Bolbostemma paniculatum with data available. |
| IUPAC Name | (1S,4S,7R,8S,9R,11S,13S,14S,18S,21R,22R,23S,24R,25R,27R,28S,29S,30R,32R,34R,35S,37S,38S,41R,42R,46S,53S,54R,56S,57R)-7,8,18,22,23,24,28,29,35,57-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,42,46, |
| SMILES | CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4(C6=CCC7(C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)C(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O |
| Formula | C65H102O29 |
| InchiKey | BMCOIOWWHJTOPU-PIZJLCQLSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Triterpenoids |
| LogP | -1.855 |
| Molecular weight | 1347.49 |
| Hydrogen Bond Acceptor | 29 |
| Hydrogen Bond Donor | 15 |
| Polar surface area | 462.365 |
| No. of rotatable bonds | 4 |
| Number of Aromatic Rings | 0 |
| Number of rings | 11 |
| Absorption level | Very low |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
