| Properties | Image |
|---|
| MNX_ID | MNXM1058779 |
 |
| reference | slm:000751343 |
| formula | C78H135N3O33 |
| global charge | 0 |
| mol weight | 1642.926 |
| InChIKey | WJYRJRCCQXTGKH-QLBKPHCVSA-N |
| InChI | InChI=1S/C78H135N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(90)81-46(47(89)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-103-75-66(100)63(97)69(51(40-85)108-75)111-77-67(101)64(98)70(52(41-86)109-77)112-78-68(102)72(59(93)50(39-84)107-78)114-74-56(80-45(4)88)71(113-76-65(99)62(96)58(92)49(38-83)106-76)60(94)53(110-74)43-104-73-55(79-44(3)87)61(95)57(91)48(37-82)105-73/h13,15,19-20,22,24,28,30,46-53,55-78,82-86,89,91-102H,5-12,14,16-18,21,23,25-27,29,31-43H2,1-4H3,(H,79,87)(H,80,88)(H,81,90)/b15-13-,20-19-,24-22-,30-28-/t46-,47+,48+,49+,50+,51+,52+,53+,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 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H135N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(90)81-46(47(89)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-103-75-66(100)63(97)69(51(40-85)108-75)111-77-67(101)64(98)70(52(41-86)109-77)112-78-68(102)72(59(93)50(39-84)107-78)114-74-56(80-45(4)88)71(113-76-65(99)62(96)58(92)49(38-83)106-76)60(94)53(110-74)43-104-73-55(79-44(3)87)61(95)57(91)48(37-82)105-73/h13,15,19-20,22,24,28,30,46-53,55-78,82-86,89,91-102H,5-12,14,16-18,21,23,25-27,29,31-43H2,1-4H3,(H,79,87)(H,80,88)(H,81,90)/b15-13-,20-19-,24-22-,30-28-/t46-,47+,48+,49+,50+,51+,52+,53+,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]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][C:54](=[N:81][C@@H:46]([CH2:42][O:103][C@H:75]1[C@H:66]([OH:100])[C@@H:63]([OH:97])[C@H:69]([O:111][C@H:77]2[C@H:67]([OH:101])[C@@H:64]([OH:98])[C@@H:70]([O:112][C@@H:78]3[C@H:68]([OH:102])[C@@H:72]([O:114][C@H:74]4[C@H:56]([N:80]=[C:45]([CH3:4])[OH:88])[C@@H:71]([O:113][C@H:76]5[C@H:65]([OH:99])[C@@H:62]([OH:96])[C@@H:58]([OH:92])[C@@H:49]([CH2:38][OH:83])[O:106]5)[C@@H:60]([OH:94])[C@@H:53]([CH2:43][O:104][C@H:73]5[C@H:55]([N:79]=[C:44]([CH3:3])[OH:87])[C@@H:61]([OH:95])[C@H:57]([OH:91])[C@@H:48]([CH2:37][OH:82])[O:105]5)[O:110]4)[C@@H:59]([OH:93])[C@@H:50]([CH2:39][OH:84])[O:107]3)[C@@H:52]([CH2:41][OH:86])[O:109]2)[C@@H:51]([CH2:40][OH:85])[O:108]1)[C@@H:47]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:89])[OH:90] |
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