| Name |
Ligatoside A |
| Formula |
C51H74O19 |
| Mw |
990.48243018 |
| CAS RN |
269055-80-3 |
| C_ID |
C00047061
, 
|
| InChIKey |
FDVJHDNEVPTBFO-RSJDVLFPNA-N |
| InChICode |
InChI=1S/C51H74O19/c1-46(2)17-18-51(45(63)70-44-40(36(57)34(55)29(22-52)66-44)68-42(62)24-9-11-27(64-7)28(19-24)65-8)26(20-46)25-10-12-31-47(3)15-14-33(67-43-38(59)35(56)37(58)39(69-43)41(60)61)48(4,23-53)30(47)13-16-49(31,5)50(25,6)21-32(51)54/h9-11,19,26,29-40,43-44,52-59H,12-18,20-23H2,1-8H3,(H,60,61)/t26-,29+,30+,31+,32+,33-,34-,35-,36-,37-,38+,39-,40+,43+,44-,47-,48-,49+,50+,51+/m0/s1 |
| SMILES |
[C@@H]1([C@@]2([C@H](C3=CC[C@H]4[C@]([C@@]3(C1)C)(CC[C@@H]1[C@@]4(CC[C@@H]([C@]1(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)C)C)CC(CC2)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1OC(=O)c1cc(c(cc1)OC)OC)O)O)CO)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Platyphora ligata | Ref. |
|
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