| Name |
Rubicunoside D
(-)-Rubicunoside D |
| Formula |
C83H130O42 |
| Mw |
1798.80366828 |
| CAS RN |
180965-45-1 |
| C_ID |
C00040173
, 
|
| InChIKey |
CXVVGGXYWJTABT-LNIBHGRYNA-N |
| InChICode |
InChI=1S/C83H130O42/c1-30(2)25-107-68(105)63-57(103)62(121-70-54(100)48(94)39(89)27-109-70)66(123-73-55(101)50(96)49(95)41(24-84)116-73)76(122-63)117-45-17-18-79(10)42(80(45,11)29-85)16-19-81(12)43(79)15-14-36-37-22-78(8,9)20-21-83(37,44(91)23-82(36,81)13)77(106)125-75-67(124-74-64(114-34(6)86)51(97)46(92)31(3)111-74)65(115-35(7)87)60(33(5)113-75)119-72-56(102)52(98)59(32(4)112-72)118-71-58(104)61(40(90)28-110-71)120-69-53(99)47(93)38(88)26-108-69/h14,29-33,37-67,69-76,84,88-104H,15-28H2,1-13H3/t31-,32+,33-,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+,66-,67-,69+,70+,71+,72+,73+,74+,75+,76-,79+,80+,81-,82-,83-/m1/s1 |
| SMILES |
C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)OC(=O)C)OC(=O)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C)C)C)C)C)(C=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OCC(C)C)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Silene rubicunda | Ref. |
|
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