| Name |
24-Hydroxy-licoricesaponin A3 |
| Formula |
C48H72O22 |
| Mw |
1000.45152399 |
| CAS RN |
1262326-47-5 |
| C_ID |
C00059513
|
| InChIKey |
TZCOLOGTIORRHN-NKPQMKOQSA-N |
| InChICode |
InChI=1S/C48H72O22/c1-43-11-12-44(2,42(64)70-39-31(58)26(53)25(52)22(17-49)65-39)16-20(43)19-15-21(51)36-45(3)9-8-24(46(4,18-50)23(45)7-10-48(36,6)47(19,5)14-13-43)66-41-35(30(57)29(56)34(68-41)38(62)63)69-40-32(59)27(54)28(55)33(67-40)37(60)61/h15,20,22-36,39-41,49-50,52-59H,7-14,16-18H2,1-6H3,(H,60,61)(H,62,63)/t20-,22+,23+,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,43+,44-,45-,46-,47+,48+/m0/s1;InChI=1S/C48H72O22/c1-43-11-12-44(2,42(64)70-39-31(58)26(53)25(52)22(17-49)65-39)16-20(43)19-15-21(51)36-45(3)9-8-24(46(4,18-50)23(45)7-10-48(36,6)47(19,5)14-13-43)66-41-35(30(57)29(56)34(68-41)38(62)63)69-40-32(59)27(54)28(55)33(67-40)37(60)61/h15,20,22-36,39-41,49-50,52-59H,7-14,16-18H2,1-6H3,(H,60,61)(H,62,63)/t20-,22+,23+,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,43+,44-,45-,46+,47+,48+/m0/s1 |
| SMILES |
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| 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 | https://doi.org/10.1021/acs.analchem.6b04919 |
|---|
|
