input word = C00043564

Metabolite InformationStructural formula
Name Gypenoside XLIX
(-)-Gypenoside XLIX
Formula C52H86O21
Mw 1046.56615981
CAS RN 94987-08-3
C_ID C00043564 ,
InChIKey OAXGXUUOBGAEOD-DNHACMEENA-N
InChICode InChI=1S/C52H86O22/c1-22(2)10-9-13-51(8,74-46-40(66)37(63)35(61)29(18-53)70-46)24-11-14-50(7)32(24)25(55)16-31-49(50,6)15-12-30-48(4,5)43(26(56)17-52(30,31)21-54)73-47-42(72-45-39(65)36(62)33(59)23(3)69-45)41(28(58)20-68-47)71-44-38(64)34(60)27(57)19-67-44/h10,21,23-47,53,55-66H,9,11-20H2,1-8H3/t23-,24-,25+,26+,27+,28-,29+,30-,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,47-,49+,50+,51-,52+/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C=O)C[C@@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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