| Properties | Image |
|---|
| MNX_ID | MNXM1059217 |
 |
| reference | slm:000751797 |
| formula | C77H139N3O39 |
| global charge | 0 |
| mol weight | 1730.941 |
| InChIKey | BWJUPELARTZFBR-CANYEWCQSA-N |
| InChI | InChI=1S/C77H139N3O39/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-40(89)51(91)39(80-48(90)28-26-24-22-20-16-14-12-10-8-6-2)35-106-73-63(103)59(99)67(45(33-85)112-73)116-76-64(104)60(100)68(46(34-86)113-76)117-77-65(105)70(54(94)43(31-83)110-77)119-72-50(79-38(4)88)69(118-75-62(102)58(98)53(93)42(30-82)109-75)55(95)47(114-72)36-107-71-49(78-37(3)87)56(96)66(44(32-84)111-71)115-74-61(101)57(97)52(92)41(29-81)108-74/h39-47,49-77,81-86,89,91-105H,5-36H2,1-4H3,(H,78,87)(H,79,88)(H,80,90)/t39-,40+,41+,42+,43+,44+,45+,46+,47+,49+,50+,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+/m0/s1 |
| SMILES | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H139N3O39/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-40(89)51(91)39(80-48(90)28-26-24-22-20-16-14-12-10-8-6-2)35-106-73-63(103)59(99)67(45(33-85)112-73)116-76-64(104)60(100)68(46(34-86)113-76)117-77-65(105)70(54(94)43(31-83)110-77)119-72-50(79-38(4)88)69(118-75-62(102)58(98)53(93)42(30-82)109-75)55(95)47(114-72)36-107-71-49(78-37(3)87)56(96)66(44(32-84)111-71)115-74-61(101)57(97)52(92)41(29-81)108-74/h39-47,49-77,81-86,89,91-105H,5-36H2,1-4H3,(H,78,87)(H,79,88)(H,80,90)/t39-,40+,41+,42+,43+,44+,45+,46+,47+,49+,50+,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+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][C@H:40]([C@H:51]([C@H:39]([CH2:35][O:106][C@H:73]1[C@H:63]([OH:103])[C@@H:59]([OH:99])[C@H:67]([O:116][C@H:76]2[C@H:64]([OH:104])[C@@H:60]([OH:100])[C@@H:68]([O:117][C@@H:77]3[C@H:65]([OH:105])[C@@H:70]([O:119][C@H:72]4[C@H:50]([N:79]=[C:38]([CH3:4])[OH:88])[C@@H:69]([O:118][C@H:75]5[C@H:62]([OH:102])[C@@H:58]([OH:98])[C@@H:53]([OH:93])[C@@H:42]([CH2:30][OH:82])[O:109]5)[C@@H:55]([OH:95])[C@@H:47]([CH2:36][O:107][C@H:71]5[C@H:49]([N:78]=[C:37]([CH3:3])[OH:87])[C@@H:56]([OH:96])[C@H:66]([O:115][C@H:74]6[C@H:61]([OH:101])[C@@H:57]([OH:97])[C@@H:52]([OH:92])[C@@H:41]([CH2:29][OH:81])[O:108]6)[C@@H:44]([CH2:32][OH:84])[O:111]5)[O:114]4)[C@@H:54]([OH:94])[C@@H:43]([CH2:31][OH:83])[O:110]3)[C@@H:46]([CH2:34][OH:86])[O:113]2)[C@@H:45]([CH2:33][OH:85])[O:112]1)[N:80]=[C:48]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:90])[OH:91])[OH:89] |
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