| Name |
Atroximasaponin E2 |
| Formula |
C69H102O32 |
| Mw |
1442.63542117 |
| CAS RN |
610272-74-7 |
| C_ID |
C00044557
, 
|
| InChIKey |
JGGXEEFVQCXZAG-NKUBUDDONA-N |
| InChICode |
InChI=1S/C69H102O32/c1-28-52(97-57-48(83)42(77)35(74)26-91-57)47(82)51(86)58(92-28)99-55-54(98-59-49(84)45(80)43(78)36(24-70)94-59)53(96-41(76)16-11-30-9-12-31(90-8)13-10-30)29(2)93-61(55)101-63(89)69-20-19-68(27-72)32(33(69)21-64(3,4)23-40(69)75)14-15-38-65(5)22-34(73)56(67(7,62(87)88)39(65)17-18-66(38,68)6)100-60-50(85)46(81)44(79)37(25-71)95-60/h9-14,16,28-29,33-40,42-61,70-75,77-86H,15,17-27H2,1-8H3,(H,87,88)/b16-11+/t28-,29+,33-,34-,35+,36+,37+,38+,39+,40+,42-,43+,44+,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55+,56-,57-,58-,59-,60+,61-,65+,66+,67-,68-,69-/m0/s1 |
| SMILES |
COc1ccc(/C=CC(=O)O[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[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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