| Name |
Ligatoside B |
| Formula |
C57H84O24 |
| Mw |
1152.53525361 |
| CAS RN |
269055-81-4 |
| C_ID |
C00047062
, 
|
| InChIKey |
QMIXMTUSUZGEMW-CMJYTBCRNA-N |
| InChICode |
InChI=1S/C57H84O24/c1-52(2)17-18-57(51(72)81-49-44(39(65)37(63)31(23-59)76-49)78-47(71)25-9-11-28(73-7)29(19-25)74-8)27(20-52)26-10-12-33-53(3)15-14-35(54(4,24-60)32(53)13-16-55(33,5)56(26,6)21-34(57)61)77-50-45(41(67)40(66)43(79-50)46(69)70)80-48-42(68)38(64)36(62)30(22-58)75-48/h9-11,19,27,30-45,48-50,58-68H,12-18,20-24H2,1-8H3,(H,69,70)/t27-,30+,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45+,48-,49-,50+,53-,54-,55+,56+,57+/m0/s1 |
| SMILES |
COc1ccc(C(=O)O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Platyphora ligata | Ref. |
|
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