Oleandrigenin-3-O-[-β-D-glucopyranosyl-(1-6)-β-D-glucopyranosyl-(1-4) β-D-diginopyranoside].

NatID	115
Nombre Común	Oleandrigenin-3-O-[-β-D-glucopyranosyl-(1-6)-β-D-glucopyranosyl-(1-4) β-D-diginopyranoside].
Fórmula Molecular	C44H68O19
Tipo Químico	Steroids and steroid derivatives > Steroid lactones
Peso Molecular	900.435 g/mol
Otros nombres

Smiles	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Inchi	InChI=1S/C44H68O19/c1-19-39(63-41-38(53)36(51)34(49)29(62-41)18-57-40-37(52)35(50)33(48)28(16-45)61-40)26(55-5)14-31(58-19)60-23-8-10-42(3)22(13-23)6-7-25-24(42)9-11-43(4)32(21-12-30(47)56-17-21)27(59-20(2)46)15-44(25,43)54/h12,19,22-29,31-41,45,48-54H,6-11,13-18H2,1-5H3/t19-,22-,23+,24+,25-,26-,27+,28-,29-,31+,32+,33-,34-,35+,36+,37-,38-,39+,40-,41+,42+,43-,44+/m1/s1
Inchi Key	PKZLCDIEFSFXDK-CFVWRREWSA-N
Estructura 3D

EID	Fuente	Semisintético?	Confidence level	Referencias
9324	Mandevilla pentlandiana	No	Very High	Cabrera, G. M., Deluca, M. E., Seldes, A. M., Gros, E. G., Oberti, J. C., Crockett, J., & Gross, M. L. (1993). Cardenolide glycosides from the roots of mandevilla pentlandiana. Phytochemistry, 32(5), 1253–1259. https://doi.org/10.1016/s0031-9422(00)95101-x

Bioassay ID	NPASS ID	Target	Activity type	Activity