| Properties | Image |
|---|
| MNX_ID | MNXM1064707 |
 |
| reference | slm:000757371 |
| formula | C78H138N2O38 |
| global charge | 0 |
| mol weight | 1711.938 |
| InChIKey | KXALYAOADIOHIV-XBNZKUHJSA-N |
| InChI | InChI=1S/C78H138N2O38/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-49(89)80-41(52(91)42(88)30-28-26-24-22-20-18-16-14-12-10-8-6-2)38-105-73-63(102)60(99)66(48(37-86)112-73)113-76-65(104)69(56(95)46(35-84)109-76)116-77-64(103)68(55(94)45(34-83)110-77)115-72-50(79-40(4)87)67(54(93)44(33-82)107-72)114-78-71(118-74-61(100)58(97)51(90)39(3)106-74)70(57(96)47(36-85)111-78)117-75-62(101)59(98)53(92)43(32-81)108-75/h9,11,15,17,39,41-48,50-78,81-86,88,90-104H,5-8,10,12-14,16,18-38H2,1-4H3,(H,79,87)(H,80,89)/b11-9-,17-15-/t39-,41-,42+,43+,44+,45+,46+,47+,48+,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+,78-/m0/s1 |
| SMILES | CCC/C=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/C78H138N2O38/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-49(89)80-41(52(91)42(88)30-28-26-24-22-20-18-16-14-12-10-8-6-2)38-105-73-63(102)60(99)66(48(37-86)112-73)113-76-65(104)69(56(95)46(35-84)109-76)116-77-64(103)68(55(94)45(34-83)110-77)115-72-50(79-40(4)87)67(54(93)44(33-82)107-72)114-78-71(118-74-61(100)58(97)51(90)39(3)106-74)70(57(96)47(36-85)111-78)117-75-62(101)59(98)53(92)43(32-81)108-75/h9,11,15,17,39,41-48,50-78,81-86,88,90-104H,5-8,10,12-14,16,18-38H2,1-4H3,(H,79,87)(H,80,89)/b11-9-,17-15-/t39-,41-,42+,43+,44+,45+,46+,47+,48+,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+,78-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:49](=[N:80][C@@H:41]([CH2:38][O:105][C@H:73]1[C@H:63]([OH:102])[C@@H:60]([OH:99])[C@H:66]([O:113][C@H:76]2[C@H:65]([OH:104])[C@@H:69]([O:116][C@@H:77]3[C@H:64]([OH:103])[C@@H:68]([O:115][C@H:72]4[C@H:50]([N:79]=[C:40]([CH3:4])[OH:87])[C@@H:67]([O:114][C@H:78]5[C@H:71]([O:118][C@H:74]6[C@@H:61]([OH:100])[C@H:58]([OH:97])[C@H:51]([OH:90])[C@H:39]([CH3:3])[O:106]6)[C@@H:70]([O:117][C@@H:75]6[C@H:62]([OH:101])[C@@H:59]([OH:98])[C@@H:53]([OH:92])[C@@H:43]([CH2:32][OH:81])[O:108]6)[C@@H:57]([OH:96])[C@@H:47]([CH2:36][OH:85])[O:111]5)[C@@H:54]([OH:93])[C@@H:44]([CH2:33][OH:82])[O:107]4)[C@@H:55]([OH:94])[C@@H:45]([CH2:34][OH:83])[O:110]3)[C@@H:56]([OH:95])[C@@H:46]([CH2:35][OH:84])[O:109]2)[C@@H:48]([CH2:37][OH:86])[O:112]1)[C@@H:52]([C@@H:42]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:88])[OH:91])[OH:89] |
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