| Name |
Uralsaponin X |
| Formula |
C50H74O22 |
| Mw |
1026.46717405 |
| CAS RN |
1616062-89-5 |
| C_ID |
C00053882
|
| InChIKey |
CWRRYAWFDXCSDM-XTIAVVEZSA-N |
| InChICode |
InChI=1S/C50H74O22/c1-19-27(53)28(54)33(59)41(66-19)71-37-32(58)30(56)35(40(62)63)70-43(37)72-36-31(57)29(55)34(39(60)61)69-42(36)68-25-11-12-48(7)24(45(25,3)4)10-13-50(9)38(48)23(52)16-21-22-17-46(5,44(64)65)18-26(67-20(2)51)47(22,6)14-15-49(21,50)8/h16,19,22,24-38,41-43,53-59H,10-15,17-18H2,1-9H3,(H,60,61)(H,62,63)(H,64,65)/t19-,22-,24-,25-,26+,27-,28+,29-,30-,31-,32-,33+,34-,35-,36+,37+,38+,41-,42+,43-,46+,47+,48-,49+,50+/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1C[C@](C)(C(=O)O)C[C@H]2C3=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Glycyrrhiza glabra  | Ref. |
| Plantae | Fabaceae | Glycyrrhiza inflata | Ref. |
| Plantae | Fabaceae | Glycyrrhiza uralensis | Ref. |
|
|
zoom in
| Organism | Glycyrrhiza uralensis |
|---|
| Reference | Song, W. et al., Anal. Chem., 89, (2017), 3146-3153. |
|---|
|
