| Name |
Ilexasoside A |
| Formula |
C37H58O10 |
| Mw |
662.40299807 |
| CAS RN |
1361000-64-7 |
| C_ID |
C00055932
|
| InChIKey |
MVNDELOPLPPJLI-CYYRADHFSA-N |
| InChICode |
InChI=1S/C37H58O10/c1-19-11-16-37(31(42)43)18-17-34(5)20(28(37)36(19,7)44)9-10-22-33(4)14-13-23(32(2,3)21(33)12-15-35(22,34)6)46-30-26(40)24(38)25(39)27(47-30)29(41)45-8/h9,19,21-28,30,38-40,44H,10-18H2,1-8H3,(H,42,43)/t19-,21+,22-,23+,24+,25+,26-,27+,28-,30-,33+,34-,35-,36-,37+/m1/s1 |
| SMILES |
COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@H]6[C@](C(=O)O)(CC[C@@H](C)[C@@]6(C)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex asprella | Ref. |
|
|
zoom in
| Organism | Ilex asprella |
|---|
| Reference | Wen, Q. et al., Bioorg. Med. Chem. Lett., 27, (2017), 880-886. |
|---|
|
