| Properties | Image |
|---|
| MNX_ID | MNXM1061862 |
 |
| reference | slm:000754474 |
| formula | C74H123N2O31S |
| global charge | -1 |
| mol weight | 1568.848 |
| InChIKey | ACNKRAZWAQJUAP-NQLZZGIISA-M |
| InChI | InChI=1S/C74H124N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-54(84)76-47(48(83)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)45-97-71-61(90)59(88)65(52(43-80)101-71)103-72-62(91)60(89)66(53(44-81)102-72)104-73-63(92)68(57(86)50(41-78)99-73)106-70-55(75-46(3)82)67(56(85)49(40-77)98-70)105-74-64(93)69(107-108(94,95)96)58(87)51(42-79)100-74/h6,8,12,14,18-19,21-22,24-25,29,31,36,38,47-53,55-74,77-81,83,85-93H,4-5,7,9-11,13,15-17,20,23,26-28,30,32-35,37,39-45H2,1-3H3,(H,75,82)(H,76,84)(H,94,95,96)/p-1/b8-6-,14-12-,19-18-,22-21-,25-24-,31-29-,38-36+/t47-,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-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[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=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H124N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-54(84)76-47(48(83)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)45-97-71-61(90)59(88)65(52(43-80)101-71)103-72-62(91)60(89)66(53(44-81)102-72)104-73-63(92)68(57(86)50(41-78)99-73)106-70-55(75-46(3)82)67(56(85)49(40-77)98-70)105-74-64(93)69(107-108(94,95)96)58(87)51(42-79)100-74/h6,8,12,14,18-19,21-22,24-25,29,31,36,38,47-53,55-74,77-81,83,85-93H,4-5,7,9-11,13,15-17,20,23,26-28,30,32-35,37,39-45H2,1-3H3,(H,75,82)(H,76,84)(H,94,95,96)/b8-6-,14-12-,19-18-,22-21-,25-24-,31-29-,38-36+/t47-,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-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][C:54](=[N:76][C@@H:47]([CH2:45][O:97][C@H:71]1[C@H:61]([OH:90])[C@@H:59]([OH:88])[C@H:65]([O:103][C@H:72]2[C@H:62]([OH:91])[C@@H:60]([OH:89])[C@@H:66]([O:104][C@@H:73]3[C@H:63]([OH:92])[C@@H:68]([O:106][C@H:70]4[C@H:55]([N:75]=[C:46]([CH3:3])[OH:82])[C@@H:67]([O:105][C@H:74]5[C@H:64]([OH:93])[C@@H:69]([O:107][S:108]([OH:94])(=[O:95])=[O:96])[C@@H:58]([OH:87])[C@@H:51]([CH2:42][OH:79])[O:100]5)[C@@H:56]([OH:85])[C@@H:49]([CH2:40][OH:77])[O:98]4)[C@@H:57]([OH:86])[C@@H:50]([CH2:41][OH:78])[O:99]3)[C@@H:53]([CH2:44][OH:81])[O:102]2)[C@@H:52]([CH2:43][OH:80])[O:101]1)[C@@H:48](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:83])[OH:84] |
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