| Name |
Gleditsioside C
(-)-Gleditsioside C |
| Formula |
C84H134O42 |
| Mw |
1814.83496841 |
| CAS RN |
230302-72-4 |
| C_ID |
C00049167
, 
|
| InChIKey |
AFLKYKNVPJFJBF-IXWTYORPNA-N |
| InChICode |
InChI=1S/C84H134O42/c1-11-80(7,109)18-12-13-34(25-85)68(107)110-31-42-53(97)56(100)66(125-75-67(124-73-60(104)54(98)51(95)41(26-86)117-73)61(105)63(33(2)116-75)121-71-62(106)64(40(90)30-113-71)122-69-57(101)48(92)37(87)27-111-69)76(119-42)126-77(108)84-22-21-78(3,4)23-36(84)35-14-15-45-81(8)19-17-47(79(5,6)44(81)16-20-82(45,9)83(35,10)24-46(84)91)120-72-59(103)55(99)52(96)43(118-72)32-115-74-65(50(94)39(89)29-114-74)123-70-58(102)49(93)38(88)28-112-70/h11,13-14,33,36-67,69-76,85-106,109H,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+,63-,64-,65-,66+,67+,69-,70-,71-,72-,73-,74+,75-,76-,80+,81-,82+,83+,84+/m0/s1 |
| SMILES |
C1[C@@H]2[C@](CCC1(C)C)([C@@H](C[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(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)C)C)C)O)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)COC(=O)/C(=C/CC[C@@](C=C)(O)C)/CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Gleditsia sinensis  | Ref. |
|
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