| Name |
Gleditsioside Q
(-)-Gleditsioside Q |
| Formula |
C78H124O37 |
| Mw |
1652.78214498 |
| CAS RN |
232601-10-4 |
| C_ID |
C00049642
, 
|
| InChIKey |
NIFNNYQJKSNMJZ-JIUGNKJANA-N |
| InChICode |
InChI=1S/C78H124O37/c1-11-73(7,99)18-12-13-34(26-79)63(97)101-31-41-49(87)51(89)61(112-67-56(94)52(90)58(33(2)107-67)109-66-57(95)59(40(83)30-104-66)110-64-54(92)46(84)37(80)27-102-64)69(108-41)113-70(98)77-23-21-71(3,4)25-36(77)35-14-15-44-74(8)19-17-45(72(5,6)43(74)16-20-76(44,10)75(35,9)22-24-77)115-78(100)62(96)53(91)50(88)42(114-78)32-106-68-60(48(86)39(82)29-105-68)111-65-55(93)47(85)38(81)28-103-65/h11,13-14,33,36-62,64-69,79-96,99-100H,1,12,15-32H2,2-10H3/b34-13+/t33-,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+,64-,65-,66-,67-,68-,69-,73+,74-,75+,76+,77-,78+/m0/s1 |
| SMILES |
C=CC(C)(O)CC/C=C(CO)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@]6(O)O[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](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Gledisia sinensis | Ref. |
|
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