| Properties | Image |
|---|
| MNX_ID | MNXM1058905 |
 |
| reference | slm:000751477 |
| formula | C78H143N3O34 |
| global charge | 0 |
| mol weight | 1666.989 |
| InChIKey | CVDKEOYQDSWZFI-RGYZBHNKSA-N |
| InChI | InChI=1S/C78H143N3O34/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-53(90)81-45(56(91)46(89)34-32-30-28-26-24-18-16-14-12-10-8-6-2)41-104-75-66(101)63(98)69(50(39-85)109-75)112-77-67(102)64(99)70(51(40-86)110-77)113-78-68(103)72(59(94)49(38-84)108-78)115-74-55(80-44(4)88)71(114-76-65(100)62(97)58(93)48(37-83)107-76)60(95)52(111-74)42-105-73-54(79-43(3)87)61(96)57(92)47(36-82)106-73/h45-52,54-78,82-86,89,91-103H,5-42H2,1-4H3,(H,79,87)(H,80,88)(H,81,90)/t45-,46+,47+,48+,49+,50+,51+,52+,54+,55+,56-,57+,58-,59-,60-,61+,62-,63+,64+,65+,66+,67+,68+,69+,70-,71+,72-,73+,74-,75+,76-,77-,78+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[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/C78H143N3O34/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-53(90)81-45(56(91)46(89)34-32-30-28-26-24-18-16-14-12-10-8-6-2)41-104-75-66(101)63(98)69(50(39-85)109-75)112-77-67(102)64(99)70(51(40-86)110-77)113-78-68(103)72(59(94)49(38-84)108-78)115-74-55(80-44(4)88)71(114-76-65(100)62(97)58(93)48(37-83)107-76)60(95)52(111-74)42-105-73-54(79-43(3)87)61(96)57(92)47(36-82)106-73/h45-52,54-78,82-86,89,91-103H,5-42H2,1-4H3,(H,79,87)(H,80,88)(H,81,90)/t45-,46+,47+,48+,49+,50+,51+,52+,54+,55+,56-,57+,58-,59-,60-,61+,62-,63+,64+,65+,66+,67+,68+,69+,70-,71+,72-,73+,74-,75+,76-,77-,78+/m0/s1 |
 |
| 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][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:53](=[N:81][C@@H:45]([CH2:41][O:104][C@H:75]1[C@H:66]([OH:101])[C@@H:63]([OH:98])[C@H:69]([O:112][C@H:77]2[C@H:67]([OH:102])[C@@H:64]([OH:99])[C@@H:70]([O:113][C@@H:78]3[C@H:68]([OH:103])[C@@H:72]([O:115][C@H:74]4[C@H:55]([N:80]=[C:44]([CH3:4])[OH:88])[C@@H:71]([O:114][C@H:76]5[C@H:65]([OH:100])[C@@H:62]([OH:97])[C@@H:58]([OH:93])[C@@H:48]([CH2:37][OH:83])[O:107]5)[C@@H:60]([OH:95])[C@@H:52]([CH2:42][O:105][C@H:73]5[C@H:54]([N:79]=[C:43]([CH3:3])[OH:87])[C@@H:61]([OH:96])[C@H:57]([OH:92])[C@@H:47]([CH2:36][OH:82])[O:106]5)[O:111]4)[C@@H:59]([OH:94])[C@@H:49]([CH2:38][OH:84])[O:108]3)[C@@H:51]([CH2:40][OH:86])[O:110]2)[C@@H:50]([CH2:39][OH:85])[O:109]1)[C@@H:56]([C@@H:46]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:89])[OH:91])[OH:90] |
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