| Name |
Aculeoside A
(-)-Aculeoside A |
| Formula |
C50H72O21 |
| Mw |
1008.45660937 |
| CAS RN |
161212-09-5 |
| C_ID |
C00049971
, 
|
| InChIKey |
KAVBYCJSGNMGIX-KZAVJIBBNA-N |
| InChICode |
InChI=1S/C50H72O21/c1-19-17-62-50(44(60)39(19)69-45-38(59)37(58)35(56)21(3)63-45)20(2)34-32(71-50)16-30-28-11-10-26-14-27(54)15-33(49(26,9)29(28)12-13-48(30,34)8)68-46-41(36(57)31(55)18-61-46)70-47-43(67-25(7)53)42(66-24(6)52)40(22(4)64-47)65-23(5)51/h10,20-22,27-34,36-47,54-55,57-60H,1,11-18H2,2-9H3/t20-,21+,22-,27+,28+,29-,30-,31-,32-,33+,34-,36-,37-,38+,39-,40-,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-/m0/s1 |
| SMILES |
C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)O[C@]3([C@H]1C)OCC(=C)[C@@H]([C@@H]3O)O[C@H]1[C@@H]([C@H](C(=O)[C@H](O1)C)O)O)C)CC=C1[C@@]2([C@@H](C[C@@H](C1)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ruscaceae | Ruscus aculeatus  | Ref. |
|
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