| Properties | Image |
|---|
| MNX_ID | MNXM1064729 |
 |
| reference | slm:000757393 |
| formula | C80H142N2O38 |
| global charge | 0 |
| mol weight | 1739.992 |
| InChIKey | RXZIUXYKRGGGIS-WOYUSMCYSA-N |
| InChI | InChI=1S/C80H142N2O38/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-51(91)82-43(54(93)44(90)32-30-28-26-24-22-18-16-14-12-10-8-6-2)40-107-75-65(104)62(101)68(50(39-88)114-75)115-78-67(106)71(58(97)48(37-86)111-78)118-79-66(105)70(57(96)47(36-85)112-79)117-74-52(81-42(4)89)69(56(95)46(35-84)109-74)116-80-73(120-76-63(102)60(99)53(92)41(3)108-76)72(59(98)49(38-87)113-80)119-77-64(103)61(100)55(94)45(34-83)110-77/h15,17,19-20,41,43-50,52-80,83-88,90,92-106H,5-14,16,18,21-40H2,1-4H3,(H,81,89)(H,82,91)/b17-15+,20-19-/t41-,43-,44+,45+,46+,47+,48+,49+,50+,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-,79+,80-/m0/s1 |
| SMILES | CCCCCC/C=C/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](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[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]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H142N2O38/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-51(91)82-43(54(93)44(90)32-30-28-26-24-22-18-16-14-12-10-8-6-2)40-107-75-65(104)62(101)68(50(39-88)114-75)115-78-67(106)71(58(97)48(37-86)111-78)118-79-66(105)70(57(96)47(36-85)112-79)117-74-52(81-42(4)89)69(56(95)46(35-84)109-74)116-80-73(120-76-63(102)60(99)53(92)41(3)108-76)72(59(98)49(38-87)113-80)119-77-64(103)61(100)55(94)45(34-83)110-77/h15,17,19-20,41,43-50,52-80,83-88,90,92-106H,5-14,16,18,21-40H2,1-4H3,(H,81,89)(H,82,91)/b17-15+,20-19-/t41-,43-,44+,45+,46+,47+,48+,49+,50+,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-,79+,80-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]/[CH:19]=[CH:20]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:51](=[N:82][C@@H:43]([CH2:40][O:107][C@H:75]1[C@H:65]([OH:104])[C@@H:62]([OH:101])[C@H:68]([O:115][C@H:78]2[C@H:67]([OH:106])[C@@H:71]([O:118][C@@H:79]3[C@H:66]([OH:105])[C@@H:70]([O:117][C@H:74]4[C@H:52]([N:81]=[C:42]([CH3:4])[OH:89])[C@@H:69]([O:116][C@H:80]5[C@H:73]([O:120][C@H:76]6[C@@H:63]([OH:102])[C@H:60]([OH:99])[C@H:53]([OH:92])[C@H:41]([CH3:3])[O:108]6)[C@@H:72]([O:119][C@@H:77]6[C@H:64]([OH:103])[C@@H:61]([OH:100])[C@@H:55]([OH:94])[C@@H:45]([CH2:34][OH:83])[O:110]6)[C@@H:59]([OH:98])[C@@H:49]([CH2:38][OH:87])[O:113]5)[C@@H:56]([OH:95])[C@@H:46]([CH2:35][OH:84])[O:109]4)[C@@H:57]([OH:96])[C@@H:47]([CH2:36][OH:85])[O:112]3)[C@@H:58]([OH:97])[C@@H:48]([CH2:37][OH:86])[O:111]2)[C@@H:50]([CH2:39][OH:88])[O:114]1)[C@@H:54]([C@@H:44]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:90])[OH:93])[OH:91] |
|