input word = C00056385

Metabolite InformationStructural formula
Name Kuguaglycoside G
Formula C42H70O13
Mw 782.48164232
CAS RN 1041631-97-3
C_ID C00056385
InChIKey BKQQMZXYSOYWBZ-HEMIGNBOSA-N
InChICode InChI=1S/C42H70O13/c1-20(2)15-22(52-37-34(50)32(48)30(46)27(18-43)54-37)16-21(3)23-11-12-42(8)36-26(53-38-35(51)33(49)31(47)28(19-44)55-38)17-25-24(9-10-29(45)39(25,4)5)40(36,6)13-14-41(23,42)7/h15,17,21-24,26-38,43-51H,9-14,16,18-19H2,1-8H3/t21-,22?,23-,24-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38-,40+,41-,42+/m1/s1
SMILES O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@]([C@@](CC[C@]3([H])[C@H](C)CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C=C(C)/C)(C)[C@]3(C)CC5)([H])[C@]5(C)[C@@](CC[C@H](O)C6(C)C)([H])C6=C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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