| Properties | Image |
|---|
| MNX_ID | MNXM1581620 |
 |
| reference | vmhM:MGlcn128
vmhM:MGlcn128 |
| formula | C75H124N6O53 |
| global charge | 0 |
| mol weight | 1957.806 |
| InChIKey | XEHZVYRMMIPMHP-XWXOERTNSA-N |
| InChI | InChI=1S/C75H124N6O53/c1-18-41(97)52(108)54(110)70(118-18)133-64-53(109)44(100)28(11-84)123-73(64)130-60-40(81-24(7)94)69(122-31(14-87)47(60)103)132-62-48(104)33(125-71(55(62)111)127-57-32(15-88)124-68(37(51(57)107)78-21(4)91)128-58-38(79-22(5)92)65(113)119-29(12-85)45(58)101)16-116-66-39(80-23(6)93)59(46(102)30(13-86)120-66)129-72-56(112)63(131-67-36(77-20(3)90)50(106)43(99)27(10-83)121-67)49(105)34(126-72)17-117-75(74(114)115)8-25(95)35(76-19(2)89)61(134-75)42(98)26(96)9-82/h18,25-73,82-88,95-113H,8-17H2,1-7H3,(H,76,89)(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H,114,115)/t18-,25-,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,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+/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O[C@H]4O[C@@H](CO[C@@]5(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O5)[C@@H](O)[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@@H]3NC(C)=O)[C@@H](O)[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]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C75H124N6O53/c1-18-41(97)52(108)54(110)70(118-18)133-64-53(109)44(100)28(11-84)123-73(64)130-60-40(81-24(7)94)69(122-31(14-87)47(60)103)132-62-48(104)33(125-71(55(62)111)127-57-32(15-88)124-68(37(51(57)107)78-21(4)91)128-58-38(79-22(5)92)65(113)119-29(12-85)45(58)101)16-116-66-39(80-23(6)93)59(46(102)30(13-86)120-66)129-72-56(112)63(131-67-36(77-20(3)90)50(106)43(99)27(10-83)121-67)49(105)34(126-72)17-117-75(74(114)115)8-25(95)35(76-19(2)89)61(134-75)42(98)26(96)9-82/h18,25-73,82-88,95-113H,8-17H2,1-7H3,(H,76,89)(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H,114,115)/t18-,25-,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[C@H:41]([OH:97])[C@H:52]([OH:108])[C@@H:54]([OH:110])[C@H:70]([O:133][C@@H:64]2[C@@H:53]([OH:109])[C@H:44]([OH:100])[C@H:28]([CH2:11][OH:84])[O:123][C@@H:73]2[O:130][C@H:60]2[C@H:40]([NH:81][C:24]([CH3:7])=[O:94])[C@@H:69]([O:132][C@H:62]3[C@H:48]([OH:104])[C@H:33]([CH2:16][O:116][C@@H:66]4[C@@H:39]([NH:80][C:23]([CH3:6])=[O:93])[C@H:59]([O:129][C@@H:72]5[C@H:56]([OH:112])[C@@H:63]([O:131][C@@H:67]6[C@H:36]([NH:77][C:20]([CH3:3])=[O:90])[C@@H:50]([OH:106])[C@@H:43]([OH:99])[C@H:27]([CH2:10][OH:83])[O:121]6)[C@H:49]([OH:105])[C@H:34]([CH2:17][O:117][C@@:75]6([C:74](=[O:114])[OH:115])[CH2:8][C@@H:25]([OH:95])[C@H:35]([NH:76][C:19]([CH3:2])=[O:89])[C@@H:61]([C@@H:42]([C@@H:26]([CH2:9][OH:82])[OH:96])[OH:98])[O:134]6)[O:126]5)[C@H:46]([OH:102])[C@H:30]([CH2:13][OH:86])[O:120]4)[O:125][C@H:71]([O:127][C@@H:57]4[C@H:32]([CH2:15][OH:88])[O:124][C@H:68]([O:128][C@H:58]5[C@@H:38]([NH:79][C:22]([CH3:5])=[O:92])[C@H:65]([OH:113])[O:119][C@H:29]([CH2:12][OH:85])[C@@H:45]5[OH:101])[C@@H:37]([NH:78][C:21]([CH3:4])=[O:91])[C@@H:51]4[OH:107])[C@@H:55]3[OH:111])[O:122][C@@H:31]([CH2:14][OH:87])[C@H:47]2[OH:103])[O:118]1 |
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