| Name |
Polygalasaponin III |
| Formula |
C53H86O23 |
| Mw |
1090.55598906 |
| CAS RN |
162857-63-8 |
| C_ID |
C00041779
, 
|
| InChIKey |
VDJZGSBKFGTXLU-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C53H86O23/c1-23-31(59)34(62)36(64)42(70-23)74-39-38(73-45-40(66)53(68,21-57)22-69-45)33(61)28(19-55)72-44(39)76-46(67)52-14-12-47(2,3)16-25(52)24-8-9-30-48(4)17-26(58)41(75-43-37(65)35(63)32(60)27(18-54)71-43)49(5,20-56)29(48)10-11-51(30,7)50(24,6)13-15-52/h8,23,25-45,54-66,68H,9-22H2,1-7H3/t23-,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 |
C1[C@@H]2[C@](CCC1(C)C)(CC[C@]1(C2=CC[C@H]2[C@]1(CC[C@H]1[C@]2(C[C@@H]([C@H]([C@@]1(C)CO)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C)C(=O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C)O)O)O)O[C@H]1OC[C@@]([C@@H]1O)(O)CO)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala japonica | Ref. |
|
|
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