| Name |
Aescin |
| Formula |
C55H86O24 |
| Mw |
1130.55090368 |
| CAS RN |
6805-41-0 |
| C_ID |
C00003497
, 
|
| InChIKey |
AXNVHPCVMSNXNP-RWGBRISXNA-N |
| InChICode |
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43-,44-,47-,48-,49-,51-,52+,53+,54+,55-/m0/s1 |
| SMILES |
C1[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)([C@H]([C@@H](C(C1)(C)C)OC(=O)/C(=C\C)/C)OC(=O)C)CO)C)C)C)(C)CO)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus chinensis  | Ref. |
| Plantae | Sapindaceae | Aesculus hippocastanum | Ref. |
| Plantae | Sapindaceae | Aesculus wilsonii | Ref. |
|
|
zoom in
| Organism | Aesculus hippocastanum |
|---|
| Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53 |
|---|
|
