| Name |
Esculeoside C |
| Formula |
C57H93NO29 |
| Mw |
1255.58332602 |
| CAS RN |
886225-73-6 |
| C_ID |
C00030218
, 
|
| InChIKey |
NSMPUPXEAVIWMS-DNRRISNGNA-N |
| InChICode |
InChI=1S/C57H93NO29/c1-54-9-7-23(11-22(54)5-6-24-25(54)8-10-55(2)26(24)12-28-47(55)56(3,75)53-57(76-4,87-28)13-21(14-58-53)19-77-48-41(72)37(68)34(65)29(15-59)80-48)79-50-43(74)39(70)44(32(18-62)83-50)84-52-46(86-51-42(73)38(69)35(66)30(16-60)81-51)45(36(67)31(17-61)82-52)85-49-40(71)33(64)27(63)20-78-49/h21-52,59-75H,5-20H2,1-4H3/t21-,22-,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-,54-,55-,56-,57+/m0/s1 |
| SMILES |
CO[C@@]12C[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN=C1[C@@](C)(O)[C@H]1[C@H](C[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@@]31C)O2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg Cholesterol |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Lycopersicon esculentum var. cerasiforme  | Ref. |
| Plantae | Solanaceae | Solanum lycopersicum var.cerasiforme (DUNAL) ALEF. | Ref. |
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| Organism | Lycopersicon esculentum var. cerasiforme |
|---|
| Reference | Ono, M. et al., Chem. Pharm. Bull., 2006, 54, 237-239 (Esculeoside C) |
|---|
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