| Properties | Image |
|---|
| MNX_ID | MNXM1059479 |
 |
| reference | slm:000752059 |
| formula | C104H181N3O43 |
| global charge | 0 |
| mol weight | 2161.57 |
| InChIKey | ZDBURWZREPLTSH-ACIHLZCBSA-N |
| InChI | InChI=1S/C104H181N3O43/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-71(117)107-62(75(119)63(116)49-47-45-43-41-39-19-17-15-13-11-9-7-2)57-135-99-88(132)83(127)91(67(54-111)142-99)145-103-89(133)84(128)92(68(55-112)143-103)146-104-90(134)96(78(122)66(53-110)140-104)150-98-72(105-60(4)114)94(148-102-87(131)82(126)77(121)65(52-109)139-102)79(123)70(144-98)58-136-97-73(106-61(5)115)95(149-100-85(129)80(124)74(118)59(3)137-100)93(69(56-113)141-97)147-101-86(130)81(125)76(120)64(51-108)138-101/h14,16,20-21,23-24,26-27,29-30,59,62-70,72-104,108-113,116,118-134H,6-13,15,17-19,22,25,28,31-58H2,1-5H3,(H,105,114)(H,106,115)(H,107,117)/b16-14-,21-20-,24-23-,27-26-,30-29-/t59-,62+,63-,64-,65-,66-,67-,68-,69-,70-,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92+,93-,94-,95-,96+,97-,98+,99-,100-,101+,102+,103+,104-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=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]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]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[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)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C104H181N3O43/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-71(117)107-62(75(119)63(116)49-47-45-43-41-39-19-17-15-13-11-9-7-2)57-135-99-88(132)83(127)91(67(54-111)142-99)145-103-89(133)84(128)92(68(55-112)143-103)146-104-90(134)96(78(122)66(53-110)140-104)150-98-72(105-60(4)114)94(148-102-87(131)82(126)77(121)65(52-109)139-102)79(123)70(144-98)58-136-97-73(106-61(5)115)95(149-100-85(129)80(124)74(118)59(3)137-100)93(69(56-113)141-97)147-101-86(130)81(125)76(120)64(51-108)138-101/h14,16,20-21,23-24,26-27,29-30,59,62-70,72-104,108-113,116,118-134H,6-13,15,17-19,22,25,28,31-58H2,1-5H3,(H,105,114)(H,106,115)(H,107,117)/b16-14-,21-20-,24-23-,27-26-,30-29-/t59-,62+,63-,64-,65-,66-,67-,68-,69-,70-,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92+,93-,94-,95-,96+,97-,98+,99-,100-,101+,102+,103+,104-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:71](=[N:107][C@@H:62]([CH2:57][O:135][C@H:99]1[C@H:88]([OH:132])[C@@H:83]([OH:127])[C@H:91]([O:145][C@H:103]2[C@H:89]([OH:133])[C@@H:84]([OH:128])[C@@H:92]([O:146][C@@H:104]3[C@H:90]([OH:134])[C@@H:96]([O:150][C@H:98]4[C@H:72]([N:105]=[C:60]([CH3:4])[OH:114])[C@@H:94]([O:148][C@H:102]5[C@H:87]([OH:131])[C@@H:82]([OH:126])[C@@H:77]([OH:121])[C@@H:65]([CH2:52][OH:109])[O:139]5)[C@@H:79]([OH:123])[C@@H:70]([CH2:58][O:136][C@H:97]5[C@H:73]([N:106]=[C:61]([CH3:5])[OH:115])[C@@H:95]([O:149][C@@H:100]6[C@H:85]([OH:129])[C@@H:80]([OH:124])[C@@H:74]([OH:118])[C@@H:59]([CH3:3])[O:137]6)[C@H:93]([O:147][C@H:101]6[C@H:86]([OH:130])[C@@H:81]([OH:125])[C@@H:76]([OH:120])[C@@H:64]([CH2:51][OH:108])[O:138]6)[C@@H:69]([CH2:56][OH:113])[O:141]5)[O:144]4)[C@@H:78]([OH:122])[C@@H:66]([CH2:53][OH:110])[O:140]3)[C@@H:68]([CH2:55][OH:112])[O:143]2)[C@@H:67]([CH2:54][OH:111])[O:142]1)[C@@H:75]([C@@H:63]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:116])[OH:119])[OH:117] |
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