input word = C00049116

Metabolite InformationStructural formula
Name Astrojanoside A
(+)-Astrojanoside A
Formula C53H86O23
Mw 1090.55598906
CAS RN 223924-16-1
C_ID C00049116 ,
InChIKey YCLOIZKXDZXRHJ-MSWRNGPUNA-N
InChICode InChI=1S/C53H86O23/c1-23-31(58)34(61)39(66)45(71-23)75-41-32(59)26(57)19-69-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-30-10-11-49(3)28(50(30,4)20-55)9-12-52(6)29(49)8-7-24-25-17-48(2,13-15-53(25,21-56)16-14-51(24,52)5)22-70-44-38(65)35(62)33(60)27(18-54)72-44/h7,23,25-42,44-47,54-66H,8-22H2,1-6H3,(H,67,68)/t23-,25-,26+,27+,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44+,45-,46-,47+,48+,49-,50-,51+,52+,53+/m0/s1
SMILES C1[C@]2([C@H]([C@]([C@H](C1)O[C@@H]1O[C@@H]([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)O)O)C)O)O)C(=O)O)(C)CO)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2C[C@](CC1)(C)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
zoom in