input word = C00030383

Metabolite InformationStructural formula
Name Giganteoside E
Formula C52H84O20
Mw 1028.55559513
CAS RN 75026-26-5
C_ID C00030383 ,
InChIKey GBKNXBVXOAXNID-VRTRJORHNA-N
InChICode InChI=1S/C52H84O20/c1-23-32(56)36(60)38(62)42(67-23)70-41-37(61)33(57)24(2)68-45(41)72-40-35(59)28(55)21-66-44(40)71-39-34(58)27(54)20-65-43(39)69-31-12-13-48(5)29(49(31,6)22-53)11-14-51(8)30(48)10-9-25-26-19-47(3,4)15-17-52(26,46(63)64)18-16-50(25,51)7/h9,23-24,26-45,53-62H,10-22H2,1-8H3,(H,63,64)/t23-,24-,26-,27-,28+,29+,30+,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51+,52-/m0/s1
SMILES [C@@H]12[C@](CC[C@@]3(C1=CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@@H]([C@]3(CO)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)O)O)C)C)C)(C(=O)O)CCC(C2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceaeCephalaria gigantea Ref.
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