| Name |
Phyloside B |
| Formula |
C80H126O44 |
| Mw |
1790.7621974 |
| CAS RN |
54967-99-6 |
| C_ID |
C00039998
, 
|
| InChIKey |
YIPSXWXCCWEHBR-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C80H126O44/c1-27-40(87)48(95)55(102)68(111-27)115-36-25-110-67(54(101)47(36)94)118-58-50(97)41(88)28(2)112-71(58)124-74(106)80-17-15-75(3,4)19-30(80)29-9-10-38-76(5)13-12-39(77(6,26-83)37(76)11-14-79(38,8)78(29,7)16-18-80)116-73-63(123-66-53(100)43(90)32(85)23-108-66)61(60(62(122-73)64(104)105)120-69-56(103)49(96)45(92)34(20-81)113-69)121-72-59(51(98)46(93)35(21-82)114-72)119-70-57(44(91)33(86)24-109-70)117-65-52(99)42(89)31(84)22-107-65/h9,26-28,30-63,65-73,81-82,84-103H,10-25H2,1-8H3,(H,104,105)/t27-,28-,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+,57-,58-,59-,60-,61-,62-,63+,65-,66+,67-,68-,69+,70-,71+,72-,73+,76-,77+,78+,79-,80+/m1/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[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)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]1OC[C@@H]([C@@H]([C@@H]1O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Glypsophila patrinii | Ref. |
|
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