| Name |
Polygalacin D |
| Formula |
C57H92O27 |
| Mw |
1208.58259774 |
| CAS RN |
66663-91-0 |
| C_ID |
C00031071
, 
|
| InChIKey |
DJPJACADAIGMKF-ABTPGZKONA-N |
| InChICode |
InChI=1S/C57H92O28/c1-23-40(81-44-39(71)41(28(63)19-76-44)85-57(75)48(72)55(74,21-60)22-78-57)36(68)38(70)45(79-23)82-42-33(65)27(62)18-77-47(42)84-49(73)56-13-12-50(2,3)14-25(56)24-8-9-31-51(4)15-26(61)43(83-46-37(69)35(67)34(66)29(17-58)80-46)52(5,20-59)30(51)10-11-53(31,6)54(24,7)16-32(56)64/h8,23,25-48,58-72,74-75H,9-22H2,1-7H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46-,47-,48+,51-,52-,53+,54+,55+,56+,57+/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[C@]1([C@@H]([C@@](CO1)(O)CO)O)O)O)O)O)O)O)C)C)C)(C)CO)O[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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