General Characteristics
| NatID | 1429 |
| Common Name | NatID_1429 |
| Molecular Formula | C32H52O8 |
| Chemical Class | Steroids and steroid derivatives > Steroidal glycosides |
| Molecular Weight | 564.366 g/mol |
| Other names | 478298-13-4 |
Representations
| Smiles | C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 |
| Inchi | InChI=1S/C32H52O8/c1-16-5-10-32(38-14-16)17(2)26-25(40-32)13-21-19-12-24(39-29-28(36)27(35)23(34)15-37-29)22-11-18(33)6-8-30(22,3)20(19)7-9-31(21,26)4/h16-29,33-36H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,23-,24+,25+,26+,27+,28-,29+,30-,31+,32-/m1/s1 |
| Inchi Key | LIGQJHJGPOMQOW-XRNZZWTLSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.23 |
| TPSA | 117.84 |
| HBD | 4 |
| HBA | 8 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 40 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10062 | 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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