| Name |
Physenoside S5
(+)-Physenoside S5 |
| Formula |
C78H128O33 |
| Mw |
1592.83378662 |
| CAS RN |
1191300-13-6 |
| C_ID |
C00048510
, 
|
| InChIKey |
UGOSANBTGKQQPL-YZPJGOSINA-N |
| InChICode |
InChI=1S/C78H128O33/c1-39-60(107-66-57(93)52(88)45(85)34-101-66)55(91)59(95)67(104-39)109-62-61(108-70-63(96)78(98,37-81)38-103-70)47(105-50(86)20-16-12-11-15-19-40(82)18-14-10-8-9-13-17-29-99-65-56(92)51(87)44(84)33-100-65)35-102-69(62)111-71(97)77-27-25-72(2,3)30-42(77)41-21-22-49-73(4)31-43(83)64(110-68-58(94)54(90)53(89)46(32-79)106-68)74(5,36-80)48(73)23-24-76(49,7)75(41,6)26-28-77/h21,39,42-49,51-70,79-81,83-85,87-96,98H,8-20,22-38H2,1-7H3/t39-,42-,43-,44-,45+,46+,47-,48+,49+,51+,52-,53+,54-,55+,56-,57+,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,73-,74-,75+,76+,77-,78+/m0/s1 |
| SMILES |
C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@@H]([C@@H]([C@@]1(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C)C(=O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@H]1[C@@H]([C@@](CO1)(O)CO)O)OC(=O)CCCCCCC(=O)CCCCCCCCO[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Physenaceae | Physena sessiliflora  | Ref. |
|
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