| 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 |
C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)NC[C@H](C[C@@H]2OC(=O)C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)CO)CO |
| 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
|
