| Name |
Glanduloside B |
| Formula |
C71H110O36 |
| Mw |
1538.67767991 |
| CAS RN |
745031-67-8 |
| C_ID |
C00043543
, 
|
| InChIKey |
ZHDVZNCSHABERX-WWPMBAHMNA-N |
| InChICode |
InChI=1S/C71H110O36/c1-26-38(78)52(98-28(3)74)55(105-61-47(87)43(83)50(27(2)97-61)101-60-49(89)51(33(77)24-95-60)102-58-44(84)39(79)31(75)22-93-58)63(96-26)107-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-73)35(67)12-15-70(36,9)69(29,8)17-19-71)100-64-56(106-62-46(86)42(82)41(81)34(21-72)99-62)53(48(88)54(104-64)57(90)91)103-59-45(85)40(80)32(76)23-94-59/h10,25-27,30-56,58-64,72,75-89H,11-24H2,1-9H3,(H,90,91)/t26-,27+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,47-,48+,49-,50+,51+,52+,53+,54+,55-,56-,58+,59+,60+,61+,62+,63+,64-,67-,68+,69-,70-,71+/m1/s1 |
| SMILES |
CC(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](OC6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Acanthophyllum glandulosum | Ref. |
|
|
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