| Properties | Image |
|---|
| MNX_ID | MNXM1188723 |
 |
| reference | envipathM:...82c9ec696dd5 |
| formula | C88H144N4O56 |
| global charge | 0 |
| mol weight | 2154.092 |
| InChIKey | QKCANTWWQVZOQF-DOFBWJOLSA-N |
| InChI | InChI=1S/C88H144N4O56/c93-20-35-45(95)56(106)66(116)76(136-35)126-22-38-51(101)61(111)72(146-78-68(118)58(108)48(98)42(138-78)27-132-85(122)89-30-11-4-1-5-12-30)82(141-38)129-24-37-47(97)57(107)67(117)77(137-37)127-23-39-52(102)62(112)73(147-79-69(119)59(109)49(99)43(139-79)28-133-86(123)90-31-13-6-2-7-14-31)83(142-39)130-25-41-54(104)64(114)74(148-88(125)91-32-15-8-3-9-16-32)84(144-41)131-26-40-53(103)63(113)71(81(143-40)128-21-36-46(96)55(105)65(115)75(121)135-36)145-80-70(120)60(110)50(100)44(140-80)29-134-87(124)92-33-17-10-18-34(94)19-33/h30-69,71-84,93-119,121H,1-29H2,(H,89,122)(H,90,123)(H,91,125)(H,92,124)/t33?,34?,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+/m1/s1 |
| SMILES | O=C(NC1CCCCC1)OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](OC[C@H]5O[C@H](OC[C@H]6O[C@H](OC[C@H]7O[C@H](O)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O[C@@H]7O[C@H](COC(=O)NC8CCCC(O)C8)[C@@H](O)[C@H](O)C7=O)[C@@H](O)[C@@H]6O)[C@H](OC(=O)NC6CCCCC6)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@H](COC(=O)NC6CCCCC6)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C88H144N4O56/c93-20-35-45(95)56(106)66(116)76(136-35)126-22-38-51(101)61(111)72(146-78-68(118)58(108)48(98)42(138-78)27-132-85(122)89-30-11-4-1-5-12-30)82(141-38)129-24-37-47(97)57(107)67(117)77(137-37)127-23-39-52(102)62(112)73(147-79-69(119)59(109)49(99)43(139-79)28-133-86(123)90-31-13-6-2-7-14-31)83(142-39)130-25-41-54(104)64(114)74(148-88(125)91-32-15-8-3-9-16-32)84(144-41)131-26-40-53(103)63(113)71(81(143-40)128-21-36-46(96)55(105)65(115)75(121)135-36)145-80-70(120)60(110)50(100)44(140-80)29-134-87(124)92-33-17-10-18-34(94)19-33/h30-69,71-84,93-119,121H,1-29H2,(H,89,122)(H,90,123)(H,91,125)(H,92,124)/t33?,34?,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:4][CH2:11][CH:30]([N:89]=[C:85]([OH:122])[O:132][CH2:27][C@@H:42]2[C@@H:48]([OH:98])[C@H:58]([OH:108])[C@@H:68]([OH:118])[C@H:78]([O:146][C@@H:72]3[C@@H:61]([OH:111])[C@H:51]([OH:101])[C@@H:38]([CH2:22][O:126][C@@H:76]4[C@H:66]([OH:116])[C@@H:56]([OH:106])[C@H:45]([OH:95])[C@@H:35]([CH2:20][OH:93])[O:136]4)[O:141][C@@H:82]3[O:129][CH2:24][C@@H:37]3[C@@H:47]([OH:97])[C@H:57]([OH:107])[C@@H:67]([OH:117])[C@@H:77]([O:127][CH2:23][C@@H:39]4[C@@H:52]([OH:102])[C@H:62]([OH:112])[C@@H:73]([O:147][C@H:79]5[C@H:69]([OH:119])[C@@H:59]([OH:109])[C@H:49]([OH:99])[C@@H:43]([CH2:28][O:133][C:86](=[N:90][CH:31]6[CH2:13][CH2:6][CH2:2][CH2:7][CH2:14]6)[OH:123])[O:139]5)[C@@H:83]([O:130][CH2:25][C@@H:41]5[C@@H:54]([OH:104])[C@H:64]([OH:114])[C@@H:74]([O:148][C:88](=[N:91][CH:32]6[CH2:15][CH2:8][CH2:3][CH2:9][CH2:16]6)[OH:125])[C@@H:84]([O:131][CH2:26][C@@H:40]6[C@@H:53]([OH:103])[C@H:63]([OH:113])[C@@H:71]([O:145][C@H:80]7[C:70](=[O:120])[C@@H:60]([OH:110])[C@H:50]([OH:100])[C@@H:44]([CH2:29][O:134][C:87](=[N:92][CH:33]8[CH2:17][CH2:10][CH2:18][CH:34]([OH:94])[CH2:19]8)[OH:124])[O:140]7)[C@@H:81]([O:128][CH2:21][C@@H:36]7[C@@H:46]([OH:96])[C@H:55]([OH:105])[C@@H:65]([OH:115])[C@@H:75]([OH:121])[O:135]7)[O:143]6)[O:144]5)[O:142]4)[O:137]3)[O:138]2)[CH2:12][CH2:5]1 |
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