| Name |
Aster saponin Hd |
| Formula |
C62H98O30 |
| Mw |
1322.6142918 |
| CAS RN |
131603-06-0 |
| C_ID |
C00038527
, 
|
| InChIKey |
UPUQZZTZAUMGFD-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C62H98O30/c1-56(2)16-17-62(25(18-56)24-8-11-31-58(5)14-13-33(86-52-39(73)36(70)37(71)45(90-52)48(77)78)57(3,4)30(58)12-15-59(31,6)60(24,7)19-32(62)67)55(80)85-29-10-9-26(64)35(69)43(29)88-53-41(75)44(89-54-47(76)61(81,22-63)23-84-54)46(49(79)92-53)91-51-40(74)42(28(66)21-83-51)87-50-38(72)34(68)27(65)20-82-50/h8,25-47,49-54,63-76,79,81H,9-23H2,1-7H3,(H,77,78)/t25-,26+,27+,28-,29-,30-,31-,32-,33-,34+,35-,36+,37+,38+,39-,40+,41+,42-,43-,44+,45+,46-,47+,49-,50+,51-,52-,53+,54-,58+,59+,60-,61-,62+/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@@]2(C(=CC1)[C@H]1[C@@]([C@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1CC[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@]([C@@H]1O)(CO)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O)O)O)C)C)C)(C)C)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Aster tataricus  | Ref. |
|
|
zoom in
| Organism | Aster tataricus |
|---|
| Reference | Tan,Phytochem.,52,(1999),153 |
|---|
|
