input word = C00057560

Metabolite InformationStructural formula
Name Saponin D
Formula C48H78O17
Mw 926.52390107
CAS RN 79190-14-0
C_ID C00057560
InChIKey FJESIUXDUUJRCG-UHFFFAOYSA-N
InChICode InChI=1S/C48H78O17/c1-21(2)16-24-17-46(9,65-41-37(57)34(54)31(51)23(4)60-41)39-25-10-11-28-44(7)14-13-29(43(5,6)27(44)12-15-45(28,8)47(25)19-48(39,64-24)58-20-47)62-42-38(35(55)32(52)26(18-49)61-42)63-40-36(56)33(53)30(50)22(3)59-40/h16,22-42,49-57H,10-15,17-20H2,1-9H3
SMILES CC(C)=CC1CC(C)(OC2OC(C)C(O)C(O)C2O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeHovenia dulcis Ref.
zoom in