input word = C00041776

Metabolite InformationStructural formula
Name Polygalasaponin G
(-)-Polygalasaponin G
Formula C52H84O22
Mw 1060.54542437
CAS RN 882664-76-8
C_ID C00041776 ,
InChIKey YRJVDXSQAMGXET-DRNSFXPVNA-N
InChICode InChI=1S/C52H84O22/c1-23-36(71-41-34(61)31(58)27(57)19-67-41)37(72-44-40(64)52(66,21-55)22-68-44)35(62)42(69-23)73-38-33(60)32(59)28(18-53)70-43(38)74-45(65)51-14-12-46(2,3)16-25(51)24-8-9-30-47(4)17-26(56)39(63)48(5,20-54)29(47)10-11-50(30,7)49(24,6)13-15-51/h8,23,25-44,53-64,66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32+,33-,34+,35+,36-,37+,38+,39-,40-,41-,42-,43-,44-,47-,48-,49+,50+,51-,52+/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(C[C@@H]([C@@H]([C@@]1(C)CO)O)O)C)C)C)C(=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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala japonica Ref.
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