General Characteristics
2D structure
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