| Name |
Atroximasaponin F2 |
| Formula |
C71H104O33 |
| Mw |
1484.64598585 |
| CAS RN |
610272-76-9 |
| C_ID |
C00044559
, 
|
| InChIKey |
ZGPPYTJOARPUMG-OWOIJHPZNA-N |
| InChICode |
InChI=1S/C71H104O33/c1-29-54(100-59-50(85)44(79)37(76)26-94-59)49(84)53(88)60(95-29)102-57-56(101-61-51(86)48(83)46(81)39(98-61)27-93-31(3)74)55(99-43(78)17-12-32-10-13-33(92-9)14-11-32)30(2)96-63(57)104-65(91)71-21-20-70(28-73)34(35(71)22-66(4,5)24-42(71)77)15-16-40-67(6)23-36(75)58(69(8,64(89)90)41(67)18-19-68(40,70)7)103-62-52(87)47(82)45(80)38(25-72)97-62/h10-15,17,29-30,35-42,44-63,72-73,75-77,79-88H,16,18-28H2,1-9H3,(H,89,90)/b17-12+/t29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,44-,45+,46+,47-,48-,49-,50+,51+,52+,53+,54-,55-,56-,57+,58-,59-,60-,61-,62+,63-,67+,68+,69-,70-,71-/m0/s1 |
| SMILES |
COc1ccc(/C=CC(=O)O[C@@H]2[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](OC(=O)[C@@]34CC[C@]5(CO)C(=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(C(=O)O)[C@@H]7CC[C@]65C)[C@@H]3CC(C)(C)C[C@H]4O)O[C@@H]2C)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Atroxima congolana | Ref. |
|
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