| Name |
Gracillin |
| Formula |
C45H72O17 |
| Mw |
884.47695088 |
| CAS RN |
19083-00-2 |
| C_ID |
C00003579
, 
|
| InChIKey |
YQEMAEKYNNOCBY-HMOFGMDINA-N |
| InChICode |
InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42+,43+,44+,45-/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@@H](CC1)C)C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convallariaceae | Polygonatum zanlanscianense | Ref. |
| Plantae | Costaceae | Costus speciosus  | Ref. |
| Plantae | Dioscoreaceae | Dioscorea althaeoides | Ref. |
| Plantae | Dioscoreaceae | Dioscorea collettii var.hypoglauca | Ref. |
| Plantae | Dioscoreaceae | Dioscorea fustchauensis | Ref. |
| Plantae | Dioscoreaceae | Dioscorea futschauensis | Ref. |
| Plantae | Dioscoreaceae | Dioscorea gracillima | Ref. |
| Plantae | Dioscoreaceae | Dioscorea panthaica | Ref. |
| Plantae | Dioscoreaceae | Dioscorea parviflora | Ref. |
| Plantae | Dioscoreaceae | Dioscorea pseudojaponica | Ref. |
| Plantae | Dioscoreaceae | Dioscorea spongiosa | Ref. |
| Plantae | Dioscoreaceae | Dioscorea spp. | Ref. |
| Plantae | Dioscoreaceae | Dioscorea zingiberensis | Ref. |
| Plantae | Smilacaceae | Smilax china | Ref. |
| Plantae | Zygophyllaceae | Tribulus terrestris | Ref. |
|
|
zoom in
| Organism | Dioscorea spongiosa |
|---|
| Reference | Sautour,J.Nat.Prod.,61,(2007),91 |
|---|
|
