| Properties | Image |
|---|
| MNX_ID | MNXM523165 |
 |
| reference | slm:000487008 |
| formula | C78H131N3O29 |
| global charge | -2 |
| mol weight | 1574.898 |
| InChIKey | JFHZUUKAWPNWQO-JLUUWVAHSA-L |
| InChI | InChI=1S/C78H133N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h13,15,19-20,22-23,25-26,39,41,52-59,61-74,82-85,88-91,93-98H,5-12,14,16-18,21,24,27-38,40,42-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/p-2/b15-13-,20-19-,23-22-,26-25-,41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67+,68+,69+,70+,71+,72-,73+,74-,77+,78-/m0/s1 |
| SMILES | CCCCC/C=C\C/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](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H133N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h13,15,19-20,22-23,25-26,39,41,52-59,61-74,82-85,88-91,93-98H,5-12,14,16-18,21,24,27-38,40,42-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/b15-13-,20-19-,23-22-,26-25-,41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67+,68+,69+,70+,71+,72-,73+,74-,77+,78-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:60](=[N:81][C@@H:52]([CH2:49][O:103][C@H:73]1[C@H:67]([OH:97])[C@@H:66]([OH:96])[C@H:69]([O:106][C@H:74]2[C@H:68]([OH:98])[C@@H:72]([O:110][C@:78]3([C:76](=[O:101])[OH:102])[CH2:44][C@H:55]([OH:90])[C@@H:62]([N:80]=[C:51]([CH3:4])[OH:87])[C@H:71]([C@@H:65]([C@@H:58]([CH2:47][OH:84])[O:107][C@:77]4([C:75](=[O:99])[OH:100])[CH2:43][C@H:54]([OH:89])[C@@H:61]([N:79]=[C:50]([CH3:3])[OH:86])[C@H:70]([C@@H:63]([C@@H:56]([CH2:45][OH:82])[OH:91])[OH:93])[O:108]4)[OH:95])[O:109]3)[C@@H:64]([OH:94])[C@@H:57]([CH2:46][OH:83])[O:104]2)[C@@H:59]([CH2:48][OH:85])[O:105]1)[C@@H:53](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:88])[OH:92] |
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