| Name |
Esculeoside D |
| Formula |
C57H93NO30 |
| Mw |
1271.57824064 |
| CAS RN |
886225-74-7 |
| C_ID |
C00030219
, 
|
| InChIKey |
MWLQSRLOESVDKU-VVKBFTCPNA-N |
| InChICode |
InChI=1S/C57H93NO30/c1-21(63)34-29(85-54(76)57(77-4)13-22(14-58-57)19-78-49-43(73)39(69)36(66)30(15-59)81-49)12-27-25-6-5-23-11-24(7-9-55(23,2)26(25)8-10-56(27,34)3)80-51-45(75)41(71)46(33(18-62)84-51)86-53-48(88-52-44(74)40(70)37(67)31(16-60)82-52)47(38(68)32(17-61)83-53)87-50-42(72)35(65)28(64)20-79-50/h22-53,58-62,64-75H,5-20H2,1-4H3/t22-,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-,55-,56+,57+/m0/s1 |
| SMILES |
COC1(C(=O)O[C@H]2C[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]2C(C)=O)C[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CN1 |
| 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. |
|
|
zoom in
| Organism | Solanum lycopersicum var.cerasiforme (DUNAL) ALEF. |
|---|
| Reference | Ono,Chem.Pharm.Bull.,56,(2008),1499 |
|---|
|
