input word = C00030384

Metabolite InformationStructural formula
Name Giganteoside L
Formula C54H86O24
Mw 1118.55090368
CAS RN 929907-56-2
C_ID C00030384 ,
InChIKey SCGZGMGJBYDJHK-BQYVOFLYNA-N
InChICode InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-40(67)35(62)32(59)26(74-46)21-71-44-38(65)33(60)30(57)24(19-55)72-44)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)75-47-42(37(64)36(63)41(76-47)43(68)69)77-45-39(66)34(61)31(58)25(20-56)73-45/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceaeCephalaria gigantea Ref.
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