NatID | 1432 |
Common Name | NatID_1432 |
Molecular Formula | C39H64O13 |
Chemical Class | Steroids and steroid derivatives > Steroidal glycosides |
Molecular Weight | 740.435 g/mol |
Other names | 478298-16-7 |
Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C)O[C@@H](O[C@H]3C[C@H]4[C@@H]5C[C@@H]6O[C@@]7(OC[C@H](C)C[C@@H]7O)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]4[C@@]4(C)CC[C@H](O)C[C@H]34)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
Inchi | InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1 |
Inchi Key | DRLHUZGVDNWMNU-ZGIVRYFZSA-N |
3D Structure |
clogP | 1.44 |
TPSA | 196.99 |
HBD | 7 |
HBA | 13 |
Rotatable Bonds | 4 |
Aromatic Rings | 0 |
Heavy Atoms | 52 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 13 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10065 | 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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