| Name |
Grandibracteoside A |
| Formula |
C73H112N2O32 |
| Mw |
1528.7198195 |
| CAS RN |
860021-37-0 |
| C_ID |
C00042566
, 
|
| InChIKey |
ITCLZCQAYVLWPY-YMRUTQNINA-N |
| InChICode |
InChI=1S/C73H112N2O32/c1-28-45(81)51(87)58(105-63-55(91)47(83)36(79)26-96-63)65(98-28)97-27-38-49(85)50(86)44(75-30(3)77)61(101-38)103-42-18-19-70(8)39(69(42,6)7)17-20-71(9)40(70)16-15-32-33-21-68(4,5)43(102-60(93)31-13-11-12-14-34(31)74)23-73(33,41(80)22-72(32,71)10)67(94)107-66-59(52(88)48(84)37(24-76)100-66)106-64-56(92)53(89)57(29(2)99-64)104-62-54(90)46(82)35(78)25-95-62/h11-15,28-29,33,35-59,61-66,76,78-92H,16-27,74H2,1-10H3,(H,75,77)/t28-,29+,33+,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-,61+,62+,63+,64+,65-,66+,70+,71-,72-,73-/m1/s1 |
| SMILES |
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](OC(=O)c7ccccc7N)C[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Albizia grandibracteata  | Ref. |
|
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