input word = C00003638

Metabolite InformationStructural formula
Name K-strophanthoside
Formula C42H64O19
Mw 872.40417987
CAS RN 33279-57-1
C_ID C00003638 ,
InChIKey CTNPHHZPAJYPFO-USPWTPSONA-N
InChICode InChI=1S/C42H64O19/c1-19-35(60-38-34(51)32(49)36(27(16-44)59-38)61-37-33(50)31(48)30(47)26(15-43)58-37)25(54-3)13-29(56-19)57-21-4-9-40(18-45)23-5-8-39(2)22(20-12-28(46)55-17-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43-44,47-53H,4-11,13-17H2,1-3H3/t19-,21-,22+,23-,24+,25-,26+,27-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40-,41-,42-/m0/s1
SMILES CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)OC(C)[C@H]1O[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStrophanthus kombe Ref.
PlantaeCrossosomataceaeCrossosoma bigelovii Ref.
zoom in