| Name |
Gitonin |
| Formula |
C50H82O23 |
| Mw |
1050.52468893 |
| CAS RN |
39937-47-8 |
| C_ID |
C00003578
, 
|
| InChIKey |
AULWDENWMBJIIQ-UXOSGZRZNA-N |
| InChICode |
InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,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-/m1/s1 |
| SMILES |
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6OC(CO)[C@H](O[C@@H]7OC(CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)C8O)C7O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)[C@H](O)C6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Digitalis purpurea  | Ref. |
| Plantae | Zygophyllaceae | Tribulus parvispinus Presl | Ref. |
| Plantae | Zygophyllaceae | Tribulus terrestris | Ref. |
|
|
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