Name |
Polygalasaponin E (-)-Polygalasaponin E |
Formula |
C47H74O19 |
Mw |
942.48243018 |
CAS RN |
882664-72-4 |
C_ID |
C00041774
,
|
InChIKey |
AWUKSVPVFAMJKF-STDZNTCPNA-N |
InChICode |
InChI=1S/C47H74O19/c1-20-34(64-37-32(55)28(51)24(50)19-61-37)31(54)33(56)38(62-20)65-35-30(53)29(52)25(18-48)63-39(35)66-41(60)47-14-12-42(2,3)16-22(47)21-8-9-26-43(4)17-23(49)36(57)46(7,40(58)59)27(43)10-11-45(26,6)44(21,5)13-15-47/h8,20,22-39,48-57H,9-19H2,1-7H3,(H,58,59)/t20-,22-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,43+,44+,45+,46-,47-/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)C(=O)O)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)O)O)O)CO |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Polygalaceae | Polygala japonica | Ref. |
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zoom in
Organism | Polygala japonica | Reference | Li,J.Nat.Prod.,69,(2006),591 |
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