| Name |
Aculeoside B
(-)-Aculeoside B |
| Formula |
C57H88O27 |
| Mw |
1204.55129761 |
| CAS RN |
214056-88-9 |
| C_ID |
C00049972
, 
|
| InChIKey |
YWDANXPOTPLHIH-YFVYHYGTNA-N |
| InChICode |
InChI=1S/C57H88O27/c1-21-13-37(81-51-44(69)42(67)40(65)33(17-58)77-51)57(73-19-21)22(2)38-32(84-57)16-31-29-10-9-27-14-28(63)15-36(56(27,8)30(29)11-12-55(31,38)7)80-54-50(49(76-26(6)62)47(75-25(5)61)35(79-54)20-72-24(4)60)83-53-46(71)48(39(64)23(3)74-53)82-52-45(70)43(68)41(66)34(18-59)78-52/h9,21-23,28-54,58-59,63-71H,10-20H2,1-8H3/t21-,22+,23+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44-,45-,46-,47+,48-,49+,50-,51+,52+,53+,54+,55+,56+,57-/m1/s1 |
| SMILES |
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2C[C@H](O)CC3=CC[C@H]4[C@@H]5C[C@@H]6OC7(OC[C@H](C)C[C@@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]4[C@]32C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ruscaceae | Ruscus aculeatus  | Ref. |
|
|
zoom in
| Organism | Ruscus aculeatus |
|---|
| Reference | Mimaki,J.Nat.Prod.,61,(1998),1279 |
|---|
|
