| Name |
Pitheduloside H |
| Formula |
C100H158O49 |
| Mw |
2142.98717153 |
| CAS RN |
200127-48-6 |
| C_ID |
C00057218
|
| InChIKey |
KZDROHNSZUSTNN-KUUIHPIQSA-N |
| InChICode |
InChI=1S/C100H158O49/c1-15-95(10,129)25-17-19-40(3)81(126)135-51-38-132-84(71(121)65(51)115)149-96(11,16-2)26-18-20-41(4)82(127)141-57-31-100(92(128)148-91-80(68(118)62(112)49(34-103)139-91)147-88-75(125)77(144-86-73(123)66(116)60(110)47(32-101)136-86)76(42(5)134-88)143-85-72(122)63(113)50(35-104)138-85)44(29-93(57,6)7)43-21-22-54-97(12)27-24-56(94(8,9)53(97)23-28-98(54,13)99(43,14)30-55(100)107)142-90-79(146-87-74(124)67(117)61(111)48(33-102)137-87)69(119)64(114)52(140-90)39-133-89-78(59(109)46(106)37-131-89)145-83-70(120)58(108)45(105)36-130-83/h15-16,19-21,42,44-80,83-91,101-125,129H,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+,71+,72+,73+,74+,75+,76-,77-,78+,79+,80+,83-,84-,85-,86-,87-,88-,89-,90-,91-,95+,96+,97-,98+,99+,100+/m0/s1 |
| SMILES |
C=C[C@@](C)(O)CC/C=C(C)C(=O)O[C@@H]1CO[C@@H](O[C@](C)(C=C)CC/C=C(C)C(=O)O[C@H]2C[C@]3(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)[C@H](O)[C@H]1O |
| 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) |
|---|
|
