| Name |
Pithelucoside A
(-)-Pithelucoside A |
| Formula |
C86H138O42 |
| Mw |
1842.86626854 |
| CAS RN |
1001598-52-2 |
| C_ID |
C00040026
, 
|
| InChIKey |
PZLNJPUTSIOXFO-ASDCODJDNA-N |
| InChICode |
InChI=1S/C86H138O42/c1-14-82(10,128-76-64(108)56(100)49(93)33(3)115-76)21-15-16-36(27-87)70(110)121-47-26-86(79(111)127-78-69(59(103)52(96)40(28-88)119-78)126-75-65(109)67(124-72-62(106)55(99)48(92)32(2)114-72)66(35(5)117-75)123-74-61(105)53(97)41(29-89)118-74)38(24-80(47,6)7)37-17-18-44-83(11)22-20-46(81(8,9)43(83)19-23-84(44,12)85(37,13)25-45(86)91)122-73-63(107)57(101)54(98)42(120-73)31-113-77-68(58(102)50(94)34(4)116-77)125-71-60(104)51(95)39(90)30-112-71/h14,16-17,32-35,38-69,71-78,87-109H,1,15,18-31H2,2-13H3/b36-16+/t32-,33-,34-,35+,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+,68-,69-,71+,72+,73+,74+,75+,76+,77-,78+,82-,83+,84-,85-,86-/m1/s1 |
| SMILES |
C=C[C@](C)(CC/C=C(CO)C(=O)O[C@H]1C[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](C)[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@]43C)[C@@H]2CC1(C)C)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pithecellobium lucidum  | Ref. |
|
|
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