| Properties | Image |
|---|
| MNX_ID | MNXM1056402 |
 |
| reference | slm:000748844 |
| formula | C73H134N2O28 |
| global charge | 0 |
| mol weight | 1487.861 |
| InChIKey | CEQCLZYZCZOOAI-PKQFDXENSA-N |
| InChI | InChI=1S/C73H134N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-38-53(83)75-46(47(82)37-35-33-31-29-27-25-17-15-13-11-9-7-5-2)44-94-70-62(91)59(88)65(51(42-79)98-70)100-72-63(92)60(89)66(52(43-80)99-72)101-73-64(93)68(57(86)50(41-78)97-73)103-69-54(74-45(3)81)67(56(85)49(40-77)95-69)102-71-61(90)58(87)55(84)48(39-76)96-71/h35,37,46-52,54-73,76-80,82,84-93H,4-34,36,38-44H2,1-3H3,(H,74,81)(H,75,83)/b37-35+/t46-,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+/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](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C73H134N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-38-53(83)75-46(47(82)37-35-33-31-29-27-25-17-15-13-11-9-7-5-2)44-94-70-62(91)59(88)65(51(42-79)98-70)100-72-63(92)60(89)66(52(43-80)99-72)101-73-64(93)68(57(86)50(41-78)97-73)103-69-54(74-45(3)81)67(56(85)49(40-77)95-69)102-71-61(90)58(87)55(84)48(39-76)96-71/h35,37,46-52,54-73,76-80,82,84-93H,4-34,36,38-44H2,1-3H3,(H,74,81)(H,75,83)/b37-35+/t46-,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+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][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:53](=[N:75][C@@H:46]([CH2:44][O:94][C@H:70]1[C@H:62]([OH:91])[C@@H:59]([OH:88])[C@H:65]([O:100][C@H:72]2[C@H:63]([OH:92])[C@@H:60]([OH:89])[C@@H:66]([O:101][C@@H:73]3[C@H:64]([OH:93])[C@@H:68]([O:103][C@H:69]4[C@H:54]([N:74]=[C:45]([CH3:3])[OH:81])[C@@H:67]([O:102][C@H:71]5[C@H:61]([OH:90])[C@@H:58]([OH:87])[C@@H:55]([OH:84])[C@@H:48]([CH2:39][OH:76])[O:96]5)[C@@H:56]([OH:85])[C@@H:49]([CH2:40][OH:77])[O:95]4)[C@@H:57]([OH:86])[C@@H:50]([CH2:41][OH:78])[O:97]3)[C@@H:52]([CH2:43][OH:80])[O:99]2)[C@@H:51]([CH2:42][OH:79])[O:98]1)[C@@H:47](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:82])[OH:83] |
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