| Name |
Phyloside A |
| Formula |
C82H130O45 |
| Mw |
1834.78841215 |
| CAS RN |
54928-13-1 |
| C_ID |
C00039997
, 
|
| InChIKey |
QBKNUMXXJFHBJQ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C82H130O45/c1-27-40(88)47(95)55(103)67(113-27)112-25-36-59(120-70-56(104)48(96)41(89)28(2)114-70)52(100)58(106)72(118-36)122-60-50(98)42(90)29(3)115-73(60)127-76(109)82-18-16-77(4,5)20-31(82)30-10-11-38-78(6)14-13-39(79(7,26-85)37(78)12-15-81(38,9)80(30,8)17-19-82)119-75-65(126-69-54(102)44(92)33(87)24-111-69)63(62(64(125-75)66(107)108)123-71-57(105)49(97)45(93)34(21-83)116-71)124-74-61(51(99)46(94)35(22-84)117-74)121-68-53(101)43(91)32(86)23-110-68/h10,26-29,31-65,67-75,83-84,86-106H,11-25H2,1-9H3,(H,107,108)/t27-,28-,29-,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-,57+,58+,59-,60-,61+,62-,63+,64-,65-,67+,68-,69-,70-,71-,72+,73+,74-,75-,78-,79+,80-,81+,82+/m0/s1 |
| SMILES |
C1(CC[C@@]2([C@H](C1)C1=CC[C@H]3[C@]([C@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@H]([C@@]1(C=O)C)O[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)C(=O)O)C)C)C(=O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)CO[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Glypsophila patrinii | Ref. |
|
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