| Name |
Esculeoside A |
| Formula |
C58H95NO29 |
| Mw |
1269.59897608 |
| CAS RN |
532387-86-3 |
| C_ID |
C00030216
, 
|
| InChIKey |
VSQBWNYALURFOT-ZLPSKRMQNA-N |
| InChICode |
InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-45(74)41(70)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-47(76)43(72)48(34(18-63)84-53)85-55-50(87-54-46(75)42(71)39(68)32(16-61)82-54)49(40(69)33(17-62)83-55)86-52-44(73)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3/t21-,23-,24-,25-,26+,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-,58-/m0/s1 |
| SMILES |
CC(=O)O[C@H]1C[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CN[C@@]12O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Lycopersicon esculentum var. cerasiforme  | Ref. |
| Plantae | Solanaceae | Solanum lycopersicum | Ref. |
| Plantae | Solanaceae | Solanum lycopersicum Momotaro | Ref. |
| Plantae | Solanaceae | Solanum lycopersicum var.cerasiforme (DUNAL) ALEF. | Ref. |
| Plantae | Trilliaceae | Paris polyphylla | Ref. |
|
|
zoom in
| Organism | Solanum lycopersicum var.cerasiforme (DUNAL) ALEF. |
|---|
| Reference | Ono,Chem.Pharm.Bull.,56,(2008),1499 |
|---|
|
