General Characteristics
2D structure
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