General Characteristics
| NatID | 1503 |
| Common Name | NatID_1503 |
| Molecular Formula | C32H42O9 |
| Chemical Class | Prenol lipids > Terpene glycosides |
| Molecular Weight | 570.283 g/mol |
| Other names | 202654-06-6 |
Representations
| Smiles | CC(=O)O[C@H]1O[C@@H]([C@@H](C)c2ccc3c(c2)CC[C@H]2[C@H]3C[C@@H](OC(C)=O)[C@@]3(O)CC=CC(=O)[C@]23C)C[C@@](C)(O)[C@]1(C)O |
| Inchi | InChI=1S/C32H42O9/c1-17(25-16-29(4,36)31(6,37)28(41-25)40-19(3)34)20-9-11-22-21(14-20)10-12-24-23(22)15-27(39-18(2)33)32(38)13-7-8-26(35)30(24,32)5/h7-9,11,14,17,23-25,27-28,36-38H,10,12-13,15-16H2,1-6H3/t17-,23-,24-,25+,27+,28-,29+,30-,31+,32-/m0/s1 |
| Inchi Key | FFLGTXUBGDNZEQ-JQVVOQPMSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.22 |
| TPSA | 139.59 |
| HBD | 3 |
| HBA | 9 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 1 |
| Heavy Atoms | 41 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 9 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10169 | Curvularia lunata | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
| 10170 | Rhizomucor miehei | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
| 10171 | Cunninghamella elegans | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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