| Name |
Ilexoside XIX |
| Formula |
C54H86O23 |
| Mw |
1102.55598906 |
| CAS RN |
146713-87-3 |
| C_ID |
C00059989
|
| InChIKey |
GQLXXAPPKLHNPO-QLYJYCKVSA-N |
| InChICode |
InChI=1S/C54H86O23/c1-23-11-16-54(48(67)77-45-39(66)36(63)34(61)28(19-55)72-45)18-17-51(6)25(43(54)53(23,8)68)9-10-31-50(5)14-13-32(49(3,4)30(50)12-15-52(31,51)7)74-46-42(71-24(2)57)40(27(59)22-70-46)75-47-41(37(64)35(62)29(20-56)73-47)76-44-38(65)33(60)26(58)21-69-44/h9,23,26-47,55-56,58-66,68H,10-22H2,1-8H3/t23-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+,37+,38-,39-,40+,41-,42-,43-,44+,45+,46+,47+,50+,51-,52-,53-,54+/m1/s1 |
| SMILES |
CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C(=O)OC6OC(CO)C(O)C(O)C6O)(CCC(C)C5(C)O)CCC34C)C2(C)C)OCC(O)C1OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex integra | Ref. |
|
|
zoom in
| Organism | Ilex integra |
|---|
| Reference | https://doi.org/10.1016/S0031-9422(00)95006-4 |
|---|
|
