| Name |
Ladyginoside E |
| Formula |
C72H116O39 |
| Mw |
1604.70937397 |
| CAS RN |
53880-85-6 |
| C_ID |
C00039599
, 
|
| InChIKey |
LVPAPZCQOZBNGS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C72H116O39/c1-67(2)14-16-72(17-15-70(6)25(26(72)18-67)8-9-34-69(5)12-11-35(68(3,4)33(69)10-13-71(34,70)7)107-65-54(94)47(87)56(57(110-65)58(95)96)109-63-51(91)43(83)38(78)29(21-75)103-63)66(97)111-64-52(92)45(85)40(80)31(105-64)23-99-61-53(93)46(86)55(108-62-50(90)42(82)37(77)28(20-74)102-62)32(106-61)24-100-60-49(89)44(84)39(79)30(104-60)22-98-59-48(88)41(81)36(76)27(19-73)101-59/h8,26-57,59-65,73-94H,9-24H2,1-7H3,(H,95,96)/t26-,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+,52+,53+,54+,55+,56-,57-,59+,60-,61+,62+,63+,64-,65+,69+,70-,71-,72-/m1/s1 |
| SMILES |
C1[C@H]2[C@@](CCC1(C)C)(CC[C@@]1(C2=CC[C@@H]2[C@]1(CC[C@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)C(=O)O)C)C)C)C(=O)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[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Ladyginia bucharica | Ref. |
|
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