TPCN04933
![[object Object]](../../static/browser_molecular_png/TPCN04933.png)
| Name | Saponin 2;3-O-??-D-galactopyranosyl-(1??2)-[??-D-xylopyranosyl-(1??3)]-??-D-glucuronopyranosyl quillaic acid 28-O-??-D-glucopyranosyl-(1??3)-[??-D-xylopyranosyl-(1??4]-??-L-rhamnopyranosyl-(1??2)-??-D-fucopyranosyl ester;Saponin 1 |
| Molecular Formula | C70H110O37 |
| Molecular Weight | 1543.61 |
| CAS Registry Number | 133632-77-6 |
| SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila pilulifera | Aerial parts | 0.005429% | Fitoterapia 83, 699-703 (2012) | 10.1016/j.fitote.2012.02.005 |
| Caryophyllaceae | Gypsophila simonii | Aerial parts | 0.001935% | Chem Biodivers 11, 445-450 (2014) | 10.1002/cbdv.201300118 |
| Caryophyllaceae | Gypsophila arrostii | Barks | 0.001429% | Bioorg Med Chem 21, 1279-1283 (2013). | 10.1016/j.bmc.2012.12.036 |
Properties
| HBA | 37 | HBD | 20 |
| HeavyAtoms | 107 | AlogP | -6.99 |
| TPSA | 585.03 | RotatableBonds | 18 |
| FractionCSP3 | 0.93 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |