| Name |
Ilekudinoside G (-)-Ilekudinoside G |
| Formula |
C53H84O22 |
| Mw |
1072.54542437 |
| CAS RN |
243635-68-9 |
| C_ID |
C00049562
, 
|
| InChIKey |
CVDQDOSSUTXMST-QNNQLTIBNA-N |
| InChICode |
InChI=1S/C53H84O22/c1-22-30(57)33(60)36(63)42(68-22)74-40-38(72-45-39(35(62)32(59)26(20-55)70-45)73-43-37(64)34(61)31(58)25(19-54)69-43)24(56)21-67-44(40)71-29-12-13-48(4)27(47(29,2)3)11-14-50(6)28(48)10-9-23-41-52(8,66)51(7)16-18-53(41,46(65)75-51)17-15-49(23,50)5/h9,22,24-45,54-64,66H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39+,40+,41+,42-,43-,44-,45-,48-,49+,50+,51-,52+,53+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7[C@]8(CC[C@](C)(OC8=O)[C@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex kudincha | Ref. |
| Plantae | Aquifoliaceae | Ilex kudingcha | Ref. |
|
|
zoom in
| Organism | Ilex kudingcha | | Reference | Nishimura, et al., Journal of Natural Products, 62, (1999), 1128 |
|---|
|