| Properties | Image |
|---|
| MNX_ID | MNXM1063506 |
 |
| reference | slm:000756146 |
| formula | C60H109N3O28 |
| global charge | 0 |
| mol weight | 1320.525 |
| InChIKey | GZYZRMVXGOOUSY-FSBDJYRLSA-N |
| InChI | InChI=1S/C60H109N3O28/c1-5-7-9-11-12-13-14-15-16-17-18-20-21-23-34(71)33(63-40(72)24-22-19-10-8-6-2)30-82-58-49(79)48(78)52(39(29-68)87-58)88-59-51(81)55(46(76)38(28-67)85-59)91-60-50(80)54(45(75)37(27-66)86-60)90-57-42(62-32(4)70)53(44(74)36(26-65)84-57)89-56-41(61-31(3)69)47(77)43(73)35(25-64)83-56/h33-39,41-60,64-68,71,73-81H,5-30H2,1-4H3,(H,61,69)(H,62,70)(H,63,72)/t33-,34+,35+,36+,37+,38+,39+,41+,42+,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56+,57-,58+,59-,60+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H109N3O28/c1-5-7-9-11-12-13-14-15-16-17-18-20-21-23-34(71)33(63-40(72)24-22-19-10-8-6-2)30-82-58-49(79)48(78)52(39(29-68)87-58)88-59-51(81)55(46(76)38(28-67)85-59)91-60-50(80)54(45(75)37(27-66)86-60)90-57-42(62-32(4)70)53(44(74)36(26-65)84-57)89-56-41(61-31(3)69)47(77)43(73)35(25-64)83-56/h33-39,41-60,64-68,71,73-81H,5-30H2,1-4H3,(H,61,69)(H,62,70)(H,63,72)/t33-,34+,35+,36+,37+,38+,39+,41+,42+,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56+,57-,58+,59-,60+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][C@H:34]([C@H:33]([CH2:30][O:82][C@H:58]1[C@H:49]([OH:79])[C@@H:48]([OH:78])[C@H:52]([O:88][C@H:59]2[C@H:51]([OH:81])[C@@H:55]([O:91][C@@H:60]3[C@H:50]([OH:80])[C@@H:54]([O:90][C@H:57]4[C@H:42]([N:62]=[C:32]([CH3:4])[OH:70])[C@@H:53]([O:89][C@@H:56]5[C@H:41]([N:61]=[C:31]([CH3:3])[OH:69])[C@@H:47]([OH:77])[C@@H:43]([OH:73])[C@@H:35]([CH2:25][OH:64])[O:83]5)[C@@H:44]([OH:74])[C@@H:36]([CH2:26][OH:65])[O:84]4)[C@@H:45]([OH:75])[C@@H:37]([CH2:27][OH:66])[O:86]3)[C@@H:46]([OH:76])[C@@H:38]([CH2:28][OH:67])[O:85]2)[C@@H:39]([CH2:29][OH:68])[O:87]1)[N:63]=[C:40]([CH2:24][CH2:22][CH2:19][CH2:10][CH2:8][CH2:6][CH3:2])[OH:72])[OH:71] |
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