input word = C00049277

Metabolite InformationStructural formula
Name Polyscioside G
(-)-Polyscioside G
Formula C54H86O23
Mw 1102.55598906
CAS RN 202585-91-9
C_ID C00049277 ,
InChIKey NZZDNKHRFUVHHV-KAAMFCLANA-N
InChICode InChI=1S/C54H86O23/c1-22-30(57)33(60)36(63)44(70-22)74-40-32(59)26(21-56)72-47(39(40)66)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54)73-46-38(65)35(62)41(42(76-46)43(67)68)75-45-37(64)34(61)31(58)25(20-55)71-45/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,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 C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePolyscias fruticosa Ref.
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OrganismPolyscias fruticosa
ReferenceHuan,Phytochem.,47,(1998),451