| Properties | Image |
|---|
| MNX_ID | MNXM1581856 |
 |
| reference | vmhM:MGlcn62
vmhM:MGlcn62 |
| formula | C64H107N5O45 |
| global charge | 0 |
| mol weight | 1666.55 |
| InChIKey | WXLTWHOEDPRKLG-YELRHCPFSA-N |
| InChI | InChI=1S/C64H107N5O45/c1-15-34(82)44(92)46(94)61(99-15)114-55-45(93)36(84)22(8-71)105-64(55)111-52-33(69-20(6)81)60(103-25(11-74)39(52)87)113-54-41(89)28(107-63(48(54)96)108-49-27(13-76)106-59(30(43(49)91)66-17(3)78)109-50-31(67-18(4)79)56(97)100-23(9-72)37(50)85)14-98-57-32(68-19(5)80)51(38(86)24(10-73)101-57)110-62-47(95)53(40(88)26(12-75)104-62)112-58-29(65-16(2)77)42(90)35(83)21(7-70)102-58/h15,21-64,70-76,82-97H,7-14H2,1-6H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)/t15-,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+,46-,47-,48-,49-,50+,51+,52+,53+,54+,55-,56-,57+,58-,59-,60-,61+,62-,63-,64-/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@@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/C64H107N5O45/c1-15-34(82)44(92)46(94)61(99-15)114-55-45(93)36(84)22(8-71)105-64(55)111-52-33(69-20(6)81)60(103-25(11-74)39(52)87)113-54-41(89)28(107-63(48(54)96)108-49-27(13-76)106-59(30(43(49)91)66-17(3)78)109-50-31(67-18(4)79)56(97)100-23(9-72)37(50)85)14-98-57-32(68-19(5)80)51(38(86)24(10-73)101-57)110-62-47(95)53(40(88)26(12-75)104-62)112-58-29(65-16(2)77)42(90)35(83)21(7-70)102-58/h15,21-64,70-76,82-97H,7-14H2,1-6H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)/t15-,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+,46-,47-,48-,49-,50+,51+,52+,53+,54+,55-,56-,57+,58-,59-,60-,61+,62-,63-,64-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[C@H:34]([OH:82])[C@H:44]([OH:92])[C@@H:46]([OH:94])[C@H:61]([O:114][C@@H:55]2[C@@H:45]([OH:93])[C@H:36]([OH:84])[C@H:22]([CH2:8][OH:71])[O:105][C@@H:64]2[O:111][C@H:52]2[C@H:33]([NH:69][C:20]([CH3:6])=[O:81])[C@@H:60]([O:113][C@H:54]3[C@H:41]([OH:89])[C@H:28]([CH2:14][O:98][C@@H:57]4[C@@H:32]([NH:68][C:19]([CH3:5])=[O:80])[C@H:51]([O:110][C@@H:62]5[C@H:47]([OH:95])[C@@H:53]([O:112][C@@H:58]6[C@H:29]([NH:65][C:16]([CH3:2])=[O:77])[C@@H:42]([OH:90])[C@@H:35]([OH:83])[C@H:21]([CH2:7][OH:70])[O:102]6)[C@H:40]([OH:88])[C@H:26]([CH2:12][OH:75])[O:104]5)[C@H:38]([OH:86])[C@H:24]([CH2:10][OH:73])[O:101]4)[O:107][C@H:63]([O:108][C@@H:49]4[C@H:27]([CH2:13][OH:76])[O:106][C@H:59]([O:109][C@H:50]5[C@@H:31]([NH:67][C:18]([CH3:4])=[O:79])[C@H:56]([OH:97])[O:100][C@H:23]([CH2:9][OH:72])[C@@H:37]5[OH:85])[C@@H:30]([NH:66][C:17]([CH3:3])=[O:78])[C@@H:43]4[OH:91])[C@@H:48]3[OH:96])[O:103][C@@H:25]([CH2:11][OH:74])[C@H:39]2[OH:87])[O:99]1 |
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