| Name |
Ilwensisaponin A
Mimengoside A
Verbascosaponin |
| Formula |
C54H88O21 |
| Mw |
1072.58180988 |
| CAS RN |
141896-30-2 |
| C_ID |
C00036145
, 
|
| InChIKey |
UOBSBOKXECYCJF-CUKHGGKYNA-N |
| InChICode |
InChI=1S/C54H88O21/c1-24-33(58)36(61)39(64)46(69-24)74-43-28(21-56)71-47(40(65)38(43)63)73-42-25(18-26-34(59)37(62)35(60)27(20-55)70-26)45(75-44(67)41(42)66)72-32-10-11-49(4)29(50(32,5)22-57)8-12-51(6)30(49)9-13-54-31-19-48(2,3)14-16-53(31,23-68-54)17-15-52(51,54)7/h9,13,24-47,55-67H,8,10-12,14-23H2,1-7H3/t24-,25+,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?/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3C(C[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5C=C[C@]57OC[C@@]8(CCC(C)(C)C[C@H]85)CC[C@]76C)[C@]4(C)CO)O[C@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja officinalis Maxim.  | Ref. |
| Plantae | Scrophulariaceae | Scrophularia auriculata | Ref. |
| Plantae | Scrophulariaceae | Scrophularia ilwensis | Ref. |
| Plantae | Scrophulariaceae | Scrophularia oxysepala | Ref. |
|
|
zoom in
| Organism | Scrophularia ilwensis |
|---|
| Reference | Singh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA. |
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