| Name |
Pitheduloside J |
| Formula |
C85H136O43 |
| Mw |
1844.8455331 |
| CAS RN |
200127-64-6 |
| C_ID |
C00057220
|
| InChIKey |
WDTQLRRZWWMRGZ-DNVZBOKISA-N |
| InChICode |
InChI=1S/C85H136O43/c1-12-81(8,111)19-13-14-32(2)69(109)121-47-24-85(78(110)128-77-68(57(102)52(97)40(27-88)119-77)127-74-63(108)65(124-72-61(106)55(100)50(95)38(25-86)116-72)64(33(3)115-74)123-71-60(105)53(98)41(28-89)118-71)35(22-79(47,4)5)34-15-16-44-82(9)20-18-46(80(6,7)43(82)17-21-83(44,10)84(34,11)23-45(85)92)122-76-67(126-73-62(107)56(101)51(96)39(26-87)117-73)58(103)54(99)42(120-76)31-114-75-66(49(94)37(91)30-113-75)125-70-59(104)48(93)36(90)29-112-70/h12,14-15,33,35-68,70-77,86-108,111H,1,13,16-31H2,2-11H3/b32-14+/t33-,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+,62+,63+,64-,65-,66+,67+,68+,70-,71-,72-,73-,74-,75-,76-,77-,81+,82-,83+,84+,85+/m0/s1 |
| SMILES |
C=C[C@@](C)(O)CC/C=C(C)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](CO)[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]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@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pithecellobium dulce  | Ref. |
|
|
zoom in
| Organism | Pithecellobium dulce |
|---|
| Reference | Konoshima, T. et al., Chem. Pharm. Bull., 1980, 28, 3473-3478
1981, 29, 2695-2699
1982, 30, 2747-2760
1982, 30, 3010-3012
4082-4087 (Gleditsiasaponins) |
|---|
|
