| Name |
Tigonin |
| Formula |
C56H92O27 |
| Mw |
1196.58259774 |
| CAS RN |
1329-83-5 |
| C_ID |
C00003594
, 
|
| InChIKey |
QERHBVOJJKVACB-OWAKZZIDNA-N |
| InChICode |
InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-49-41(68)35(62)28(61)20-72-49)82-52-44(71)46(37(64)31(16-58)76-52)80-51-42(69)39(66)36(63)30(15-57)75-51/h21-53,57-71H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,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-/m1/s1 |
| SMILES |
C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@@H](CC2)C)C)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Digitalis lanata  | Ref. |
| Plantae | Plantaginaceae | Digitalis purpurea | Ref. |
|
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