| Properties | Image |
|---|
| MNX_ID | MNXM1066811 |
 |
| reference | slm:000759920 |
| formula | C84H147N3O38 |
| global charge | 0 |
| mol weight | 1807.083 |
| InChIKey | TZABTTPBZKRRPY-KNIXLAJWSA-N |
| InChI | InChI=1S/C84H147N3O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-55(97)87-47(59(99)48(96)35-33-31-29-27-25-19-17-15-13-11-9-7-2)43-112-80-69(109)66(106)73(53(41-92)118-80)121-82-70(110)67(107)72(54(42-93)119-82)120-79-57(86-46(5)95)74(61(101)50(38-89)115-79)122-84-77(125-81-68(108)65(105)58(98)44(3)113-81)76(63(103)52(40-91)117-84)124-83-71(111)75(62(102)51(39-90)116-83)123-78-56(85-45(4)94)64(104)60(100)49(37-88)114-78/h8,10,14,16,20-21,44,47-54,56-84,88-93,96,98-111H,6-7,9,11-13,15,17-19,22-43H2,1-5H3,(H,85,94)(H,86,95)(H,87,97)/b10-8-,16-14-,21-20-/t44-,47-,48+,49+,50+,51+,52+,53+,54+,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+,81-,82-,83+,84-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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](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]6NC(C)=O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C84H147N3O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-55(97)87-47(59(99)48(96)35-33-31-29-27-25-19-17-15-13-11-9-7-2)43-112-80-69(109)66(106)73(53(41-92)118-80)121-82-70(110)67(107)72(54(42-93)119-82)120-79-57(86-46(5)95)74(61(101)50(38-89)115-79)122-84-77(125-81-68(108)65(105)58(98)44(3)113-81)76(63(103)52(40-91)117-84)124-83-71(111)75(62(102)51(39-90)116-83)123-78-56(85-45(4)94)64(104)60(100)49(37-88)114-78/h8,10,14,16,20-21,44,47-54,56-84,88-93,96,98-111H,6-7,9,11-13,15,17-19,22-43H2,1-5H3,(H,85,94)(H,86,95)(H,87,97)/b10-8-,16-14-,21-20-/t44-,47-,48+,49+,50+,51+,52+,53+,54+,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+,81-,82-,83+,84-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:55](=[N:87][C@@H:47]([CH2:43][O:112][C@H:80]1[C@H:69]([OH:109])[C@@H:66]([OH:106])[C@H:73]([O:121][C@H:82]2[C@H:70]([OH:110])[C@@H:67]([OH:107])[C@@H:72]([O:120][C@H:79]3[C@H:57]([N:86]=[C:46]([CH3:5])[OH:95])[C@@H:74]([O:122][C@H:84]4[C@H:77]([O:125][C@H:81]5[C@@H:68]([OH:108])[C@H:65]([OH:105])[C@H:58]([OH:98])[C@H:44]([CH3:3])[O:113]5)[C@@H:76]([O:124][C@@H:83]5[C@H:71]([OH:111])[C@@H:75]([O:123][C@H:78]6[C@H:56]([N:85]=[C:45]([CH3:4])[OH:94])[C@@H:64]([OH:104])[C@@H:60]([OH:100])[C@@H:49]([CH2:37][OH:88])[O:114]6)[C@@H:62]([OH:102])[C@@H:51]([CH2:39][OH:90])[O:116]5)[C@@H:63]([OH:103])[C@@H:52]([CH2:40][OH:91])[O:117]4)[C@@H:61]([OH:101])[C@@H:50]([CH2:38][OH:89])[O:115]3)[C@@H:54]([CH2:42][OH:93])[O:119]2)[C@@H:53]([CH2:41][OH:92])[O:118]1)[C@@H:59]([C@@H:48]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:96])[OH:99])[OH:97] |
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