Name |
Platycoside B (-)-Platycoside B |
Formula |
C54H86O25 |
Mw |
1134.5458183 |
CAS RN |
209404-09-1 |
C_ID |
C00031055
,
|
InChIKey |
URXFZCDHIFETFG-UOCBGGSZNA-N |
InChICode |
InChI=1S/C54H86O25/c1-22-40(76-44-37(67)33(63)27(60)18-71-44)39(69)42(74-23(2)58)47(73-22)77-41-34(64)28(61)19-72-46(41)79-48(70)54-13-12-49(3,4)14-25(54)24-8-9-30-50(5)15-26(59)43(78-45-38(68)36(66)35(65)29(17-55)75-45)53(20-56,21-57)31(50)10-11-51(30,6)52(24,7)16-32(54)62/h8,22,25-47,55-57,59-69H,9-21H2,1-7H3/t22-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,35+,36-,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,50-,51+,52+,54+/m0/s1 |
SMILES |
CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(CO)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Campanulaceae/Lobeliaceae | Platycodon grandiflorum A.DC. | Ref. |
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