| Name |
Aesculioside IVb
(-)-Aesculioside IVb |
| Formula |
C57H90O23 |
| Mw |
1142.58728918 |
| CAS RN |
886840-43-3 |
| C_ID |
C00034792
, 
|
| InChIKey |
YAYBFZAOQBDUKA-ADRZASMKNA-N |
| InChICode |
InChI=1S/C57H90O23/c1-11-25(3)47(71)79-44-45(80-48(72)26(4)12-2)57(24-61)28(19-52(44,5)6)27-13-14-32-53(7)17-16-34(54(8,23-60)31(53)15-18-55(32,9)56(27,10)20-33(57)62)75-51-43(78-50-39(67)37(65)35(63)29(21-58)73-50)41(40(68)42(77-51)46(69)70)76-49-38(66)36(64)30(22-59)74-49/h11,13,26,28-45,49-51,58-68H,12,14-24H2,1-10H3,(H,69,70)/b25-11-/t26-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44+,45+,49+,50+,51-,53+,54-,55-,56-,57+/m1/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus pavia | Ref. |
|
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