| Properties | Image |
|---|
| MNX_ID | MNXM1058048 |
 |
| reference | slm:000750612 |
| formula | C78H139N3O38 |
| global charge | 0 |
| mol weight | 1726.953 |
| InChIKey | LBFFOYPAHCEGNW-IQDUOXLCSA-N |
| InChI | InChI=1S/C78H139N3O38/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-42(91)41(81-50(92)30-28-26-24-22-19-16-14-12-10-8-6-2)38-106-74-62(102)59(99)67(48(36-87)112-74)115-76-63(103)60(100)68(49(37-88)113-76)116-78-64(104)70(55(95)45(33-84)110-78)118-72-51(79-39(3)89)57(97)66(47(35-86)111-72)114-77-65(105)71(56(96)46(34-85)109-77)119-73-52(80-40(4)90)69(54(94)44(32-83)107-73)117-75-61(101)58(98)53(93)43(31-82)108-75/h12,14,41-49,51-78,82-88,91,93-105H,5-11,13,15-38H2,1-4H3,(H,79,89)(H,80,90)(H,81,92)/b14-12-/t41-,42+,43+,44+,45+,46+,47+,48+,49+,51+,52+,53-,54-,55-,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68-,69+,70-,71-,72-,73-,74+,75+,76-,77+,78+/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H139N3O38/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-42(91)41(81-50(92)30-28-26-24-22-19-16-14-12-10-8-6-2)38-106-74-62(102)59(99)67(48(36-87)112-74)115-76-63(103)60(100)68(49(37-88)113-76)116-78-64(104)70(55(95)45(33-84)110-78)118-72-51(79-39(3)89)57(97)66(47(35-86)111-72)114-77-65(105)71(56(96)46(34-85)109-77)119-73-52(80-40(4)90)69(54(94)44(32-83)107-73)117-75-61(101)58(98)53(93)43(31-82)108-75/h12,14,41-49,51-78,82-88,91,93-105H,5-11,13,15-38H2,1-4H3,(H,79,89)(H,80,90)(H,81,92)/b14-12-/t41-,42+,43+,44+,45+,46+,47+,48+,49+,51+,52+,53-,54-,55-,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68-,69+,70-,71-,72-,73-,74+,75+,76-,77+,78+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C@H:42]([C@H:41]([CH2:38][O:106][C@H:74]1[C@H:62]([OH:102])[C@@H:59]([OH:99])[C@H:67]([O:115][C@H:76]2[C@H:63]([OH:103])[C@@H:60]([OH:100])[C@@H:68]([O:116][C@@H:78]3[C@H:64]([OH:104])[C@@H:70]([O:118][C@H:72]4[C@H:51]([N:79]=[C:39]([CH3:3])[OH:89])[C@@H:57]([OH:97])[C@@H:66]([O:114][C@@H:77]5[C@H:65]([OH:105])[C@@H:71]([O:119][C@H:73]6[C@H:52]([N:80]=[C:40]([CH3:4])[OH:90])[C@@H:69]([O:117][C@@H:75]7[C@H:61]([OH:101])[C@@H:58]([OH:98])[C@@H:53]([OH:93])[C@@H:43]([CH2:31][OH:82])[O:108]7)[C@@H:54]([OH:94])[C@@H:44]([CH2:32][OH:83])[O:107]6)[C@@H:56]([OH:96])[C@@H:46]([CH2:34][OH:85])[O:109]5)[C@@H:47]([CH2:35][OH:86])[O:111]4)[C@@H:55]([OH:95])[C@@H:45]([CH2:33][OH:84])[O:110]3)[C@@H:49]([CH2:37][OH:88])[O:113]2)[C@@H:48]([CH2:36][OH:87])[O:112]1)[N:81]=[C:50]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])[OH:92])[OH:91] |
|