| Properties | Image |
|---|
| MNX_ID | MNXM102582 |
 |
| reference | chebi:65192 |
| formula | C56H92N4O41 |
| global charge | 0 |
| mol weight | 1477.339 |
| InChIKey | UMVJMFYOZWEWPJ-CTOGLWHLSA-N |
| InChI | InChI=1S/C56H92N4O41/c1-14-31(74)37(80)38(81)50(90-14)97-45-30(60-18(5)69)49(94-25(12-65)41(45)95-51-39(82)46(34(77)23(10-63)92-51)100-55(53(85)86)6-19(70)27(57-15(2)66)43(98-55)32(75)21(72)8-61)89-13-26-36(79)42(29(48(84)91-26)59-17(4)68)96-52-40(83)47(35(78)24(11-64)93-52)101-56(54(87)88)7-20(71)28(58-16(3)67)44(99-56)33(76)22(73)9-62/h14,19-52,61-65,70-84H,6-13H2,1-5H3,(H,57,66)(H,58,67)(H,59,68)(H,60,69)(H,85,86)(H,87,88)/t14-,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+,46-,47-,48?,49+,50-,51-,52-,55-,56-/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]3O)[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[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C56H92N4O41/c1-14-31(74)37(80)38(81)50(90-14)97-45-30(60-18(5)69)49(94-25(12-65)41(45)95-51-39(82)46(34(77)23(10-63)92-51)100-55(53(85)86)6-19(70)27(57-15(2)66)43(98-55)32(75)21(72)8-61)89-13-26-36(79)42(29(48(84)91-26)59-17(4)68)96-52-40(83)47(35(78)24(11-64)93-52)101-56(54(87)88)7-20(71)28(58-16(3)67)44(99-56)33(76)22(73)9-62/h14,19-52,61-65,70-84H,6-13H2,1-5H3,(H,57,66)(H,58,67)(H,59,68)(H,60,69)(H,85,86)(H,87,88)/t14-,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+,46-,47-,48?,49+,50-,51-,52-,55-,56-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]1[C@@H:31]([OH:74])[C@@H:37]([OH:80])[C@H:38]([OH:81])[C@H:50]([O:97][C@@H:45]2[C@@H:30]([N:60]=[C:18]([CH3:5])[OH:69])[C@H:49]([O:89][CH2:13][C@@H:26]3[C@H:36]([OH:79])[C@H:42]([O:96][C@H:52]4[C@H:40]([OH:83])[C@@H:47]([O:101][C@:56]5([C:54](=[O:87])[OH:88])[CH2:7][C@H:20]([OH:71])[C@@H:28]([N:58]=[C:16]([CH3:3])[OH:67])[C@H:44]([C@@H:33]([C@@H:22]([CH2:9][OH:62])[OH:73])[OH:76])[O:99]5)[C@@H:35]([OH:78])[C@@H:24]([CH2:11][OH:64])[O:93]4)[C@@H:29]([N:59]=[C:17]([CH3:4])[OH:68])[CH:48]([OH:84])[O:91]3)[O:94][C@H:25]([CH2:12][OH:65])[C@H:41]2[O:95][C@H:51]2[C@H:39]([OH:82])[C@@H:46]([O:100][C@:55]3([C:53](=[O:85])[OH:86])[CH2:6][C@H:19]([OH:70])[C@@H:27]([N:57]=[C:15]([CH3:2])[OH:66])[C@H:43]([C@@H:32]([C@@H:21]([CH2:8][OH:61])[OH:72])[OH:75])[O:98]3)[C@@H:34]([OH:77])[C@@H:23]([CH2:10][OH:63])[O:92]2)[O:90]1 |
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