| Properties | Image |
|---|
| MNX_ID | MNXM1581669 |
 |
| reference | vmhM:MGlcn15
vmhM:MGlcn15 |
| formula | C47H78N4O34 |
| global charge | 0 |
| mol weight | 1243.135 |
| InChIKey | OKYXFDLCCUHLQR-LSYLPQMMSA-N |
| InChI | InChI=1S/C47H78N4O34/c1-12(58)48-23-16(62)5-47(46(73)74,84-38(23)27(64)17(63)6-52)85-40-30(67)20(9-55)77-45(34(40)71)81-36-22(11-57)79-43(25(32(36)69)50-14(3)60)83-39-29(66)19(8-54)76-44(33(39)70)80-35-21(10-56)78-42(24(31(35)68)49-13(2)59)82-37-26(51-15(4)61)41(72)75-18(7-53)28(37)65/h16-45,52-57,62-72H,5-11H2,1-4H3,(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,73,74)/t16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,47-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]3[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]4NC(C)=O)O[C@H]3CO)O[C@@H](CO)[C@H]2O)O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O[C@@]3(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H78N4O34/c1-12(58)48-23-16(62)5-47(46(73)74,84-38(23)27(64)17(63)6-52)85-40-30(67)20(9-55)77-45(34(40)71)81-36-22(11-57)79-43(25(32(36)69)50-14(3)60)83-39-29(66)19(8-54)76-44(33(39)70)80-35-21(10-56)78-42(24(31(35)68)49-13(2)59)82-37-26(51-15(4)61)41(72)75-18(7-53)28(37)65/h16-45,52-57,62-72H,5-11H2,1-4H3,(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,73,74)/t16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]([NH:48][C@H:23]1[C@H:16]([OH:62])[CH2:5][C@:47]([C:46](=[O:73])[OH:74])([O:85][C@H:40]2[C@H:30]([OH:67])[C@H:20]([CH2:9][OH:55])[O:77][C@H:45]([O:81][C@@H:36]3[C@H:22]([CH2:11][OH:57])[O:79][C@H:43]([O:83][C@H:39]4[C@H:29]([OH:66])[C@H:19]([CH2:8][OH:54])[O:76][C@H:44]([O:80][C@@H:35]5[C@H:21]([CH2:10][OH:56])[O:78][C@H:42]([O:82][C@H:37]6[C@@H:26]([NH:51][C:15]([CH3:4])=[O:61])[C@H:41]([OH:72])[O:75][C@H:18]([CH2:7][OH:53])[C@@H:28]6[OH:65])[C@@H:24]([NH:49][C:13]([CH3:2])=[O:59])[C@@H:31]5[OH:68])[C@@H:33]4[OH:70])[C@@H:25]([NH:50][C:14]([CH3:3])=[O:60])[C@@H:32]3[OH:69])[C@@H:34]2[OH:71])[O:84][C@@H:38]1[C@@H:27]([C@@H:17]([CH2:6][OH:52])[OH:63])[OH:64])=[O:58] |
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