| Name |
Tragopogonsaponin N |
| Formula |
C62H90O26 |
| Mw |
1250.57203305 |
| CAS RN |
134361-74-3 |
| C_ID |
C00040536
, 
|
| InChIKey |
OAGSYWJOJWVKBS-XNTDXEJSNA-N |
| InChICode |
InChI=1S/C62H90O26/c1-57(2)20-21-62(30(22-57)29-13-14-35-59(5)18-17-37(84-54-47(76)43(72)44(73)49(87-54)51(77)78)58(3,4)34(59)16-19-60(35,6)61(29,7)23-36(62)66)56(79)88-55-50(48(31(65)26-80-55)86-53-46(75)42(71)40(69)33(25-64)83-53)85-38(67)15-10-27-8-11-28(12-9-27)81-52-45(74)41(70)39(68)32(24-63)82-52/h8-13,15,30-37,39-50,52-55,63-66,68-76H,14,16-26H2,1-7H3,(H,77,78)/b15-10+/t30-,31-,32-,33+,34+,35+,36-,37-,39+,40+,41+,42+,43+,44-,45+,46+,47+,48-,49-,50+,52-,53+,54+,55+,59+,60-,61-,62+/m1/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]1[C@H]([C@@H]([C@@H](CO1)O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)OC(=O)/C=C/c1ccc(cc1)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO)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 | Tragopogon porrifolius  | Ref. |
|
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