General Characteristics
| NatID | 1434 |
| Common Name | NatID_1434 |
| Molecular Formula | C27H44O5 |
| Chemical Class | Prenol lipids > Triterpenoids |
| Molecular Weight | 448.319 g/mol |
| Other names | 65620-57-7 |
Representations
| Smiles | C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12OC[C@H](C)C[C@@H]2O |
| Inchi | InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26+,27+/m1/s1 |
| Inchi Key | GDFVLFBHNREYBP-QTMMKWCYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.74 |
| TPSA | 79.15 |
| HBD | 3 |
| HBA | 5 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 32 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10067 | Solanum chrysotrichum | No | Low | Zamilpa, A., Tortoriello, J., Navarro, V., Delgado, G., & Alvarez, L. (2002). Five New Steroidal Saponins from Solanum chrysotrichum Leaves and Their Antimycotic Activity. Journal of Natural Products, 65(12), 1815–1819. https://doi.org/10.1021/np020261h |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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