| Name |
Timosaponin AIII |
| Formula |
C53H78O20 |
| Mw |
1034.50864493 |
| CAS RN |
107800-07-7 |
| C_ID |
C00032359
, 
|
| InChIKey |
XWHLRGYHAKFVSN-PKOJPWLNNA-N |
| InChICode |
InChI=1S/C53H78O20/c1-25-14-19-53(63-22-25)26(2)42-39(73-53)21-38-36-13-12-34-20-35(15-17-51(34,10)37(36)16-18-52(38,42)11)69-49-48(46(67-32(8)59)44(65-30(6)57)40(70-49)23-61-27(3)54)72-50-47(68-33(9)60)45(66-31(7)58)43(64-29(5)56)41(71-50)24-62-28(4)55/h25-26,34-50H,12-24H2,1-11H3/t25-,26-,34+,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45-,46-,47+,48+,49+,50-,51-,52-,53+/m0/s1 |
| SMILES |
CC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5[C@H](C[C@@H]43)O[C@]3(CC[C@H](C)CO3)[C@H]5C)C2)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Anemarrhenaceae | Anemarrhena asphodeloides Bunge  | Ref. |
| Plantae | Rutaceae | Phellodendron amurense | Ref. |
|
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