| Properties | Image |
|---|
| MNX_ID | MNXM1103146 |
 |
| reference | slm:000771813 |
| formula | C102H177N5O51 |
| global charge | -2 |
| mol weight | 2289.522 |
| InChIKey | PTMJODSZNOAEHJ-SDGXQCAASA-L |
| InChI | InChI=1S/C102H179N5O51/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-66(125)105-54(55(120)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)51-143-95-80(135)79(134)85(64(47-114)148-95)151-98-83(138)92(158-102(100(141)142)40-57(122)70(107-68(127)50-117)89(156-102)74(129)59(124)42-109)86(65(48-115)149-98)152-94-72(104-53(4)119)87(75(130)60(43-110)144-94)153-96-81(136)90(76(131)61(44-111)145-96)154-93-71(103-52(3)118)78(133)84(63(46-113)147-93)150-97-82(137)91(77(132)62(45-112)146-97)157-101(99(139)140)39-56(121)69(106-67(126)49-116)88(155-101)73(128)58(123)41-108/h35,37,54-65,69-98,108-117,120-124,128-138H,5-34,36,38-51H2,1-4H3,(H,103,118)(H,104,119)(H,105,125)(H,106,126)(H,107,127)(H,139,140)(H,141,142)/p-2/b37-35+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,69+,70+,71+,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 | CCCCCCCCCCCCC/C=C/[C@@H](O)[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]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C102H179N5O51/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-66(125)105-54(55(120)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)51-143-95-80(135)79(134)85(64(47-114)148-95)151-98-83(138)92(158-102(100(141)142)40-57(122)70(107-68(127)50-117)89(156-102)74(129)59(124)42-109)86(65(48-115)149-98)152-94-72(104-53(4)119)87(75(130)60(43-110)144-94)153-96-81(136)90(76(131)61(44-111)145-96)154-93-71(103-52(3)118)78(133)84(63(46-113)147-93)150-97-82(137)91(77(132)62(45-112)146-97)157-101(99(139)140)39-56(121)69(106-67(126)49-116)88(155-101)73(128)58(123)41-108/h35,37,54-65,69-98,108-117,120-124,128-138H,5-34,36,38-51H2,1-4H3,(H,103,118)(H,104,119)(H,105,125)(H,106,126)(H,107,127)(H,139,140)(H,141,142)/b37-35+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,69+,70+,71+,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][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:66](=[N:105][C@@H:54]([CH2:51][O:143][C@H:95]1[C@H:80]([OH:135])[C@@H:79]([OH:134])[C@H:85]([O:151][C@H:98]2[C@H:83]([OH:138])[C@@H:92]([O:158][C@:102]3([C:100](=[O:141])[OH:142])[CH2:40][C@H:57]([OH:122])[C@@H:70]([N:107]=[C:68]([CH2:50][OH:117])[OH:127])[C@H:89]([C@@H:74]([C@@H:59]([CH2:42][OH:109])[OH:124])[OH:129])[O:156]3)[C@@H:86]([O:152][C@H:94]3[C@H:72]([N:104]=[C:53]([CH3:4])[OH:119])[C@@H:87]([O:153][C@H:96]4[C@H:81]([OH:136])[C@@H:90]([O:154][C@H:93]5[C@H:71]([N:103]=[C:52]([CH3:3])[OH:118])[C@@H:78]([OH:133])[C@H:84]([O:150][C@H:97]6[C@H:82]([OH:137])[C@@H:91]([O:157][C@:101]7([C:99](=[O:139])[OH:140])[CH2:39][C@H:56]([OH:121])[C@@H:69]([N:106]=[C:67]([CH2:49][OH:116])[OH:126])[C@H:88]([C@@H:73]([C@@H:58]([CH2:41][OH:108])[OH:123])[OH:128])[O:155]7)[C@@H:77]([OH:132])[C@@H:62]([CH2:45][OH:112])[O:146]6)[C@@H:63]([CH2:46][OH:113])[O:147]5)[C@@H:76]([OH:131])[C@@H:61]([CH2:44][OH:111])[O:145]4)[C@@H:75]([OH:130])[C@@H:60]([CH2:43][OH:110])[O:144]3)[C@@H:65]([CH2:48][OH:115])[O:149]2)[C@@H:64]([CH2:47][OH:114])[O:148]1)[C@@H:55](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:120])[OH:125] |
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