input word = C00060443

Metabolite InformationStructural formula
Name (3beta,5alpha)-3-[(O-beta-D-Galactopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)-furost-20(22)-en-12-one
Formula C56H90O28
Mw 1210.5618623
CAS RN 180050-94-6
C_ID C00060443
InChIKey YAZYFQIPQSGTRB-GFAXPOLTSA-N
InChICode InChI=1S/C56H90O28/c1-20(18-74-50-44(71)40(67)37(64)30(14-57)78-50)5-8-28-21(2)35-29(77-28)12-26-24-7-6-22-11-23(9-10-55(22,3)25(24)13-34(62)56(26,35)4)76-52-46(73)42(69)47(33(17-60)81-52)82-54-49(84-53-45(72)41(68)38(65)31(15-58)79-53)48(39(66)32(16-59)80-54)83-51-43(70)36(63)27(61)19-75-51/h20,22-27,29-33,35-54,57-61,63-73H,5-19H2,1-4H3/t20?,22-,23-,24+,25-,26-,27+,29-,30+,31+,32+,33+,35-,36-,37+,38-,39+,40-,41-,42+,43+,44+,45+,46+,47+,48-,49+,50+,51-,52+,53-,54-,55-,56+/m0/s1
SMILES CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
zoom in