| Properties | Image |
|---|
| MNX_ID | MNXM1128688 |
 |
| reference | chebi:167391 |
| formula | C78H127N3O63 |
| global charge | 0 |
| mol weight | 2114.832 |
| InChIKey | JIALBRSHEHMSHD-KKQGUSQASA-N |
| InChI | InChI=1S/C78H127N3O63/c1-18(92)79-35-21(95)4-76(72(119)120,142-59(35)39(104)24(98)8-82)139-33(16-90)43(108)60-36(80-19(2)93)22(96)5-78(143-60,74(123)124)144-63-51(116)68(129-34(17-91)57(63)132-65-37(81-20(3)94)58(42(107)32(15-89)126-65)134-66-46(111)44(109)40(105)30(13-87)127-66)135-61-48(113)52(25(99)9-83)130-69(49(61)114)136-62-50(115)70(131-54(27(101)11-85)64(62)137-67-47(112)45(110)41(106)31(14-88)128-67)133-56-29(7-75(125,71(117)118)140-55(56)28(102)12-86)138-77(73(121)122)6-23(97)38(103)53(141-77)26(100)10-84/h21-70,82-91,95-116,125H,4-17H2,1-3H3,(H,79,92)(H,80,93)(H,81,94)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/t21-,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+,65-,66-,67-,68-,69+,70+,75+,76+,77+,78-/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)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)O3)[C@@H](O)[C@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@H]5[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]5O[C@]5(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O5)O[C@H]([C@@H](O)CO)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@H]([C@@H](O)CO)[C@H]3O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C78H127N3O63/c1-18(92)79-35-21(95)4-76(72(119)120,142-59(35)39(104)24(98)8-82)139-33(16-90)43(108)60-36(80-19(2)93)22(96)5-78(143-60,74(123)124)144-63-51(116)68(129-34(17-91)57(63)132-65-37(81-20(3)94)58(42(107)32(15-89)126-65)134-66-46(111)44(109)40(105)30(13-87)127-66)135-61-48(113)52(25(99)9-83)130-69(49(61)114)136-62-50(115)70(131-54(27(101)11-85)64(62)137-67-47(112)45(110)41(106)31(14-88)128-67)133-56-29(7-75(125,71(117)118)140-55(56)28(102)12-86)138-77(73(121)122)6-23(97)38(103)53(141-77)26(100)10-84/h21-70,82-91,95-116,125H,4-17H2,1-3H3,(H,79,92)(H,80,93)(H,81,94)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/t21-,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+,65-,66-,67-,68-,69+,70+,75+,76+,77+,78-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18](=[N:79][C@@H:35]1[C@@H:21]([OH:95])[CH2:4][C@@:76]([C:72](=[O:119])[OH:120])([O:139][C@H:33]([CH2:16][OH:90])[C@H:43]([C@H:60]2[C@H:36]([N:80]=[C:19]([CH3:2])[OH:93])[C@@H:22]([OH:96])[CH2:5][C@@:78]([C:74](=[O:123])[OH:124])([O:144][C@@H:63]3[C@@H:51]([OH:116])[C@H:68]([O:135][C@H:61]4[C@H:48]([OH:113])[C@@H:52]([C@H:25]([CH2:9][OH:83])[OH:99])[O:130][C@H:69]([O:136][C@@H:62]5[C@H:50]([OH:115])[C@@H:70]([O:133][C@@H:56]6[C@H:29]([O:138][C@:77]7([C:73](=[O:121])[OH:122])[CH2:6][C@@H:23]([OH:97])[C@@H:38]([OH:103])[C@@H:53]([C@@H:26]([CH2:10][OH:84])[OH:100])[O:141]7)[CH2:7][C@@:75]([C:71](=[O:117])[OH:118])([OH:125])[O:140][C@@H:55]6[C@@H:28]([CH2:12][OH:86])[OH:102])[O:131][C@H:54]([C@H:27]([CH2:11][OH:85])[OH:101])[C@H:64]5[O:137][C@H:67]5[C@H:47]([OH:112])[C@@H:45]([OH:110])[C@H:41]([OH:106])[C@@H:31]([CH2:14][OH:88])[O:128]5)[C@H:49]4[OH:114])[O:129][C@H:34]([CH2:17][OH:91])[C@@H:57]3[O:132][C@H:65]3[C@H:37]([N:81]=[C:20]([CH3:3])[OH:94])[C@@H:58]([O:134][C@H:66]4[C@H:46]([OH:111])[C@@H:44]([OH:109])[C@@H:40]([OH:105])[C@@H:30]([CH2:13][OH:87])[O:127]4)[C@@H:42]([OH:107])[C@@H:32]([CH2:15][OH:89])[O:126]3)[O:143]2)[OH:108])[O:142][C@H:59]1[C@@H:39]([C@@H:24]([CH2:8][OH:82])[OH:98])[OH:104])[OH:92] |
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