| Properties | Image |
|---|
| MNX_ID | MNXM522815 |
 |
| reference | slm:000487286 |
| formula | C102H172N4O39 |
| global charge | -2 |
| mol weight | 2078.487 |
| InChIKey | AYPAMAALGHWWMS-IGXRQWMHSA-L |
| InChI | InChI=1S/C102H174N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-76(120)106-66(67(116)52-50-48-46-44-42-40-19-17-15-13-11-9-7-2)62-134-96-87(128)85(126)89(74(60-111)137-96)139-98-88(129)94(90(75(61-112)138-98)140-95-79(105-65(5)115)91(82(123)72(58-109)135-95)141-97-86(127)84(125)81(122)71(57-108)136-97)145-102(100(132)133)55-69(118)78(104-64(4)114)93(144-102)83(124)73(59-110)142-101(99(130)131)54-68(117)77(103-63(3)113)92(143-101)80(121)70(119)56-107/h14,16,20-21,23-24,26-27,29-30,50,52,66-75,77-98,107-112,116-119,121-129H,6-13,15,17-19,22,25,28,31-49,51,53-62H2,1-5H3,(H,103,113)(H,104,114)(H,105,115)(H,106,120)(H,130,131)(H,132,133)/p-2/b16-14-,21-20-,24-23-,27-26-,30-29-,52-50+/t66-,67+,68-,69-,70+,71+,72+,73+,74+,75+,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\CCCCCCCCCCCCCCCCC(=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]4O)[C@H]3NC(C)=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/C102H174N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-76(120)106-66(67(116)52-50-48-46-44-42-40-19-17-15-13-11-9-7-2)62-134-96-87(128)85(126)89(74(60-111)137-96)139-98-88(129)94(90(75(61-112)138-98)140-95-79(105-65(5)115)91(82(123)72(58-109)135-95)141-97-86(127)84(125)81(122)71(57-108)136-97)145-102(100(132)133)55-69(118)78(104-64(4)114)93(144-102)83(124)73(59-110)142-101(99(130)131)54-68(117)77(103-63(3)113)92(143-101)80(121)70(119)56-107/h14,16,20-21,23-24,26-27,29-30,50,52,66-75,77-98,107-112,116-119,121-129H,6-13,15,17-19,22,25,28,31-49,51,53-62H2,1-5H3,(H,103,113)(H,104,114)(H,105,115)(H,106,120)(H,130,131)(H,132,133)/b16-14-,21-20-,24-23-,27-26-,30-29-,52-50+/t66-,67+,68-,69-,70+,71+,72+,73+,74+,75+,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][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:76](=[N:106][C@@H:66]([CH2:62][O:134][C@H:96]1[C@H:87]([OH:128])[C@@H:85]([OH:126])[C@H:89]([O:139][C@H:98]2[C@H:88]([OH:129])[C@@H:94]([O:145][C@:102]3([C:100](=[O:132])[OH:133])[CH2:55][C@H:69]([OH:118])[C@@H:78]([N:104]=[C:64]([CH3:4])[OH:114])[C@H:93]([C@@H:83]([C@@H:73]([CH2:59][OH:110])[O:142][C@:101]4([C:99](=[O:130])[OH:131])[CH2:54][C@H:68]([OH:117])[C@@H:77]([N:103]=[C:63]([CH3:3])[OH:113])[C@H:92]([C@@H:80]([C@@H:70]([CH2:56][OH:107])[OH:119])[OH:121])[O:143]4)[OH:124])[O:144]3)[C@@H:90]([O:140][C@H:95]3[C@H:79]([N:105]=[C:65]([CH3:5])[OH:115])[C@@H:91]([O:141][C@H:97]4[C@H:86]([OH:127])[C@@H:84]([OH:125])[C@@H:81]([OH:122])[C@@H:71]([CH2:57][OH:108])[O:136]4)[C@@H:82]([OH:123])[C@@H:72]([CH2:58][OH:109])[O:135]3)[C@@H:75]([CH2:61][OH:112])[O:138]2)[C@@H:74]([CH2:60][OH:111])[O:137]1)[C@@H:67](/[CH:52]=[CH:50]/[CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:116])[OH:120] |
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