| Name |
Gleditsioside J
(-)-Gleditsioside J |
| Formula |
C74H120O39 |
| Mw |
1632.7406741 |
| CAS RN |
253123-52-3 |
| C_ID |
C00039275
, 
|
| InChIKey |
QNSISMOIISIICW-BRJLGSHJNA-N |
| InChICode |
InChI=1S/C74H120O39/c1-26-55(108-62-54(96)56(32(80)24-100-62)109-60-49(91)40(82)29(77)21-98-60)53(95)59(111-64-52(94)46(88)43(85)33(19-75)104-64)66(103-26)112-58-48(90)44(86)34(20-76)105-67(58)113-68(97)74-16-15-69(2,3)17-28(74)27-9-10-37-71(6)13-12-39(70(4,5)36(71)11-14-72(37,7)73(27,8)18-38(74)81)107-63-51(93)47(89)45(87)35(106-63)25-102-65-57(42(84)31(79)23-101-65)110-61-50(92)41(83)30(78)22-99-61/h9,26,28-67,75-96H,10-25H2,1-8H3/t26-,28-,29+,30+,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45+,46-,47-,48-,49+,50+,51+,52+,53+,54+,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,65+,66-,67-,71-,72+,73+,74+/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Gleditsia sinensis  | Ref. |
|
|
zoom in
|
