| Properties | Image |
|---|
| MNX_ID | MNXM1057441 |
 |
| reference | slm:000749997 |
| formula | C102H172N4O45 |
| global charge | -2 |
| mol weight | 2174.481 |
| InChIKey | LHHHFRVVNRGFMU-SZTIIGQISA-L |
| InChI | InChI=1S/C102H174N4O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-71(121)106-60(75(122)61(116)45-43-41-39-37-35-19-17-15-13-11-9-7-2)55-138-95-83(130)81(128)87(69(53-111)143-95)145-96-84(131)82(129)88(70(54-112)144-96)146-97-85(132)92(79(126)67(51-109)141-97)148-94-74(105-59(5)115)89(78(125)66(50-108)140-94)147-98-86(133)93(80(127)68(52-110)142-98)151-102(100(136)137)48-63(118)73(104-58(4)114)91(150-102)77(124)65(120)56-139-101(99(134)135)47-62(117)72(103-57(3)113)90(149-101)76(123)64(119)49-107/h14,16,20-21,23-24,26-27,29-30,60-70,72-98,107-112,116-120,122-133H,6-13,15,17-19,22,25,28,31-56H2,1-5H3,(H,103,113)(H,104,114)(H,105,115)(H,106,121)(H,134,135)(H,136,137)/p-2/b16-14-,21-20-,24-23-,27-26-,30-29-/t60-,61+,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-,101+,102-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)O6)[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/C102H174N4O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-71(121)106-60(75(122)61(116)45-43-41-39-37-35-19-17-15-13-11-9-7-2)55-138-95-83(130)81(128)87(69(53-111)143-95)145-96-84(131)82(129)88(70(54-112)144-96)146-97-85(132)92(79(126)67(51-109)141-97)148-94-74(105-59(5)115)89(78(125)66(50-108)140-94)147-98-86(133)93(80(127)68(52-110)142-98)151-102(100(136)137)48-63(118)73(104-58(4)114)91(150-102)77(124)65(120)56-139-101(99(134)135)47-62(117)72(103-57(3)113)90(149-101)76(123)64(119)49-107/h14,16,20-21,23-24,26-27,29-30,60-70,72-98,107-112,116-120,122-133H,6-13,15,17-19,22,25,28,31-56H2,1-5H3,(H,103,113)(H,104,114)(H,105,115)(H,106,121)(H,134,135)(H,136,137)/b16-14-,21-20-,24-23-,27-26-,30-29-/t60-,61+,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-,101+,102-/m0/s1 |
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| 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][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:71](=[N:106][C@@H:60]([CH2:55][O:138][C@H:95]1[C@H:83]([OH:130])[C@@H:81]([OH:128])[C@H:87]([O:145][C@H:96]2[C@H:84]([OH:131])[C@@H:82]([OH:129])[C@@H:88]([O:146][C@@H:97]3[C@H:85]([OH:132])[C@@H:92]([O:148][C@H:94]4[C@H:74]([N:105]=[C:59]([CH3:5])[OH:115])[C@@H:89]([O:147][C@H:98]5[C@H:86]([OH:133])[C@@H:93]([O:151][C@:102]6([C:100](=[O:136])[OH:137])[CH2:48][C@H:63]([OH:118])[C@@H:73]([N:104]=[C:58]([CH3:4])[OH:114])[C@H:91]([C@@H:77]([C@@H:65]([CH2:56][O:139][C@:101]7([C:99](=[O:134])[OH:135])[CH2:47][C@H:62]([OH:117])[C@@H:72]([N:103]=[C:57]([CH3:3])[OH:113])[C@H:90]([C@@H:76]([C@@H:64]([CH2:49][OH:107])[OH:119])[OH:123])[O:149]7)[OH:120])[OH:124])[O:150]6)[C@@H:80]([OH:127])[C@@H:68]([CH2:52][OH:110])[O:142]5)[C@@H:78]([OH:125])[C@@H:66]([CH2:50][OH:108])[O:140]4)[C@@H:79]([OH:126])[C@@H:67]([CH2:51][OH:109])[O:141]3)[C@@H:70]([CH2:54][OH:112])[O:144]2)[C@@H:69]([CH2:53][OH:111])[O:143]1)[C@@H:75]([C@@H:61]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:116])[OH:122])[OH:121] |
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