| Name |
Brodiosaponin D
(-)-Brodiosaponin D |
| Formula |
C51H82O25 |
| Mw |
1094.51451817 |
| CAS RN |
189351-05-1 |
| C_ID |
C00050280
, 
|
| InChIKey |
VTZSPYJYCKZCGK-QBNWASQWNA-N |
| InChICode |
InChI=1S/C51H82O25/c1-16-15-67-51(44(66)41(16)73-45-38(63)35(60)31(56)18(3)68-45)17(2)30-25(76-51)11-23-22-8-7-20-9-21(54)10-29(49(20,5)24(22)12-28(55)50(23,30)6)72-48-43(37(62)34(59)27(14-53)71-48)75-47-40(65)42(32(57)19(4)69-47)74-46-39(64)36(61)33(58)26(13-52)70-46/h7,16-19,21-48,52-66H,8-15H2,1-6H3/t16-,17+,18-,19+,21-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50-,51+/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@H]3[C@@H]([C@]2([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)CO)C)C[C@H]([C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@H]([C@@H]([C@@H]1O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)C)C)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Themidaceae | Brodiaea californica | Ref. |
|
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