| Name |
Deapio-platycodin D3
Deapioplatycodin D3 |
| Formula |
C58H94O29 |
| Mw |
1254.58807705 |
| CAS RN |
67884-05-3 |
| C_ID |
C00030096
, 
|
| InChIKey |
QDTKFVBGHXCISC-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C58H94O29/c1-22-44(84-48-40(73)33(66)26(63)17-78-48)39(72)43(76)49(81-22)85-45-34(67)27(64)18-79-51(45)87-52(77)58-12-11-53(2,3)13-24(58)23-7-8-30-54(4)14-25(62)46(57(20-60,21-61)31(54)9-10-55(30,5)56(23,6)15-32(58)65)86-50-42(75)38(71)36(69)29(83-50)19-80-47-41(74)37(70)35(68)28(16-59)82-47/h7,22,24-51,59-76H,8-21H2,1-6H3/t22-,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+,54-,55-,56-,58-/m0/s1 |
| SMILES |
[C@H]1([C@H](C([C@@H]2[C@@](C1)([C@H]1[C@](CC2)([C@@]2(C(=CC1)[C@@H]1[C@]([C@H](C2)O)(CCC(C1)(C)C)C(=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)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)O)O)C)C)C)(CO)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Campanulaceae/Lobeliaceae | Platycodon grandiflorum  | Ref. |
|
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