| Name |
Gleditsioside I
(-)-Gleditsioside I |
| Formula |
C68H110O33 |
| Mw |
1454.69293604 |
| CAS RN |
229468-56-8 |
| C_ID |
C00039274
, 
|
| InChIKey |
YEFIMTZGZGDHKG-SHPONOJWNA-N |
| InChICode |
InChI=1S/C68H110O33/c1-26-51(97-57-50(86)52(32(73)24-90-57)98-55-46(82)38(74)29(70)21-88-55)45(81)49(85)58(93-26)100-54-44(80)41(77)33(20-69)94-61(54)101-62(87)68-17-15-63(2,3)19-28(68)27-9-10-36-65(6)13-12-37(64(4,5)35(65)11-14-67(36,8)66(27,7)16-18-68)96-59-48(84)43(79)42(78)34(95-59)25-92-60-53(40(76)31(72)23-91-60)99-56-47(83)39(75)30(71)22-89-56/h9,26,28-61,69-86H,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-,65-,66+,67+,68-/m0/s1 |
| SMILES |
C[C@@H]1O[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)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[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 | Fabaceae | Gleditsia sinensis  | Ref. |
|
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