input word = C00030386

Metabolite InformationStructural formula
Name Giganteoside N
Formula C54H86O24
Mw 1118.55090368
CAS RN 929907-58-4
C_ID C00030386 ,
InChIKey VQFFIEQMGMAOHO-BLKMXYEKNA-N
InChICode InChI=1S/C54H86O24/c1-22-30(57)33(60)39(66)45(72-22)77-42-37(64)36(63)41(43(68)69)76-47(42)75-29-11-12-50(4)27(51(29,5)21-56)10-13-53(7)28(50)9-8-23-24-18-49(2,3)14-16-54(24,17-15-52(23,53)6)48(70)78-46-40(67)35(62)32(59)26(74-46)20-71-44-38(65)34(61)31(58)25(19-55)73-44/h8,22,24-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41-,42+,44+,45-,46?,47+,50-,51+,52+,53+,54-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceaeCephalaria gigantea Ref.
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OrganismCephalaria gigantea
ReferenceTabatadze,Chem.Pharm.Bull.,55,(2007),102