| Name |
Gleditsioside O
(-)-Gleditsioside O |
| Formula |
C88H138O37 |
| Mw |
1786.89169543 |
| CAS RN |
232600-77-0 |
| C_ID |
C00049640
, 
|
| InChIKey |
MKDLBAKSZDUCFK-ULVZJXSYNA-N |
| InChICode |
InChI=1S/C88H138O37/c1-15-83(10,108)25-17-19-40(3)71(105)110-38-50-58(97)68(120-72(106)41(4)20-18-26-84(11,109)16-2)70(124-76-64(103)60(99)66(42(5)116-76)121-75-65(104)67(48(92)37-113-75)122-73-61(100)54(93)45(89)34-111-73)79(118-50)125-80(107)88-31-29-81(6,7)33-44(88)43-21-22-52-85(12)27-24-53(82(8,9)51(85)23-28-87(52,14)86(43,13)30-32-88)119-77-63(102)59(98)57(96)49(117-77)39-115-78-69(56(95)47(91)36-114-78)123-74-62(101)55(94)46(90)35-112-74/h15-16,19-21,42,44-70,73-79,89-104,108-109H,1-2,17-18,22-39H2,3-14H3/b40-19+,41-20+/t42-,44-,45+,46+,47+,48+,49+,50+,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+,79-,83+,84+,85-,86+,87+,88-/m0/s1 |
| SMILES |
C=C[C@@](C)(O)CC/C=C(C)C(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](OC(=O)/C(C)=C/CC[C@](C)(O)C=C)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Gledisia sinensis | Ref. |
|
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