| Properties | Image |
|---|
| MNX_ID | MNXM1192875 |
 |
| reference | envipathM:...a6f8917aeacd |
| formula | C88H144N4O56 |
| global charge | 0 |
| mol weight | 2154.092 |
| InChIKey | TUYPTWVRMHILID-JYKUIKMISA-N |
| InChI | InChI=1S/C88H144N4O56/c93-21-35-45(94)55(104)65(114)75(134-35)125-22-37-50(99)60(109)70(144-77-67(116)57(106)47(96)41(136-77)28-131-84(120)89-31-13-5-1-6-14-31)80(139-37)127-24-36-46(95)56(105)66(115)76(135-36)126-23-38-51(100)61(110)71(145-78-68(117)58(107)48(97)42(137-78)29-132-85(121)90-32-15-7-2-8-16-32)81(140-38)128-25-40-53(102)63(112)73(147-87(123)92-34-19-11-4-12-20-34)83(142-40)129-26-39-52(101)62(111)72(82(141-39)130-27-44-54(103)64(113)74(119)148-88(124)143-44)146-79-69(118)59(108)49(98)43(138-79)30-133-86(122)91-33-17-9-3-10-18-33/h31-73,75-83,88,93-118,124H,1-30H2,(H,89,120)(H,90,121)(H,91,122)(H,92,123)/t35-,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-,70-,71-,72-,73-,75+,76+,77+,78+,79+,80+,81+,82+,83+,88+/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)OC(=O)[C@@H](O)[C@@H]7O)[C@H](O[C@@H]7O[C@H](COC(=O)NC8CCCCC8)[C@@H](O)[C@H](O)[C@H]7O)[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/c93-21-35-45(94)55(104)65(114)75(134-35)125-22-37-50(99)60(109)70(144-77-67(116)57(106)47(96)41(136-77)28-131-84(120)89-31-13-5-1-6-14-31)80(139-37)127-24-36-46(95)56(105)66(115)76(135-36)126-23-38-51(100)61(110)71(145-78-68(117)58(107)48(97)42(137-78)29-132-85(121)90-32-15-7-2-8-16-32)81(140-38)128-25-40-53(102)63(112)73(147-87(123)92-34-19-11-4-12-20-34)83(142-40)129-26-39-52(101)62(111)72(82(141-39)130-27-44-54(103)64(113)74(119)148-88(124)143-44)146-79-69(118)59(108)49(98)43(138-79)30-133-86(122)91-33-17-9-3-10-18-33/h31-73,75-83,88,93-118,124H,1-30H2,(H,89,120)(H,90,121)(H,91,122)(H,92,123)/t35-,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-,70-,71-,72-,73-,75+,76+,77+,78+,79+,80+,81+,82+,83+,88+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:5][CH2:13][CH:31]([N:89]=[C:84]([OH:120])[O:131][CH2:28][C@@H:41]2[C@@H:47]([OH:96])[C@H:57]([OH:106])[C@@H:67]([OH:116])[C@H:77]([O:144][C@@H:70]3[C@@H:60]([OH:109])[C@H:50]([OH:99])[C@@H:37]([CH2:22][O:125][C@@H:75]4[C@H:65]([OH:114])[C@@H:55]([OH:104])[C@H:45]([OH:94])[C@@H:35]([CH2:21][OH:93])[O:134]4)[O:139][C@@H:80]3[O:127][CH2:24][C@@H:36]3[C@@H:46]([OH:95])[C@H:56]([OH:105])[C@@H:66]([OH:115])[C@@H:76]([O:126][CH2:23][C@@H:38]4[C@@H:51]([OH:100])[C@H:61]([OH:110])[C@@H:71]([O:145][C@H:78]5[C@H:68]([OH:117])[C@@H:58]([OH:107])[C@H:48]([OH:97])[C@@H:42]([CH2:29][O:132][C:85](=[N:90][CH:32]6[CH2:15][CH2:7][CH2:2][CH2:8][CH2:16]6)[OH:121])[O:137]5)[C@@H:81]([O:128][CH2:25][C@@H:40]5[C@@H:53]([OH:102])[C@H:63]([OH:112])[C@@H:73]([O:147][C:87](=[N:92][CH:34]6[CH2:19][CH2:11][CH2:4][CH2:12][CH2:20]6)[OH:123])[C@@H:83]([O:129][CH2:26][C@@H:39]6[C@@H:52]([OH:101])[C@H:62]([OH:111])[C@@H:72]([O:146][C@H:79]7[C@H:69]([OH:118])[C@@H:59]([OH:108])[C@H:49]([OH:98])[C@@H:43]([CH2:30][O:133][C:86](=[N:91][CH:33]8[CH2:17][CH2:9][CH2:3][CH2:10][CH2:18]8)[OH:122])[O:138]7)[C@@H:82]([O:130][CH2:27][C@@H:44]7[C@@H:54]([OH:103])[C@H:64]([OH:113])[C:74](=[O:119])[O:148][C@@H:88]([OH:124])[O:143]7)[O:141]6)[O:142]5)[O:140]4)[O:135]3)[O:136]2)[CH2:14][CH2:6]1 |
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