| Properties | Image |
|---|
| MNX_ID | MNXM1058225 |
 |
| reference | slm:000750789 |
| formula | C60H108N2O32 |
| global charge | 0 |
| mol weight | 1369.506 |
| InChIKey | NZUQCEYHYRRSLW-GQMYAWAKSA-N |
| InChI | InChI=1S/C60H108N2O32/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-30(69)29(62-36(70)19-6-2)26-83-56-47(80)44(77)50(34(24-66)88-56)90-58-48(81)45(78)51(35(25-67)89-58)91-59-49(82)53(41(74)33(23-65)86-59)93-55-37(61-28(4)68)52(40(73)32(22-64)85-55)92-60-54(43(76)39(72)31(21-63)87-60)94-57-46(79)42(75)38(71)27(3)84-57/h27,29-35,37-60,63-67,69,71-82H,5-26H2,1-4H3,(H,61,68)(H,62,70)/t27-,29-,30+,31+,32+,33+,34+,35+,37+,38+,39-,40-,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]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]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C60H108N2O32/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-30(69)29(62-36(70)19-6-2)26-83-56-47(80)44(77)50(34(24-66)88-56)90-58-48(81)45(78)51(35(25-67)89-58)91-59-49(82)53(41(74)33(23-65)86-59)93-55-37(61-28(4)68)52(40(73)32(22-64)85-55)92-60-54(43(76)39(72)31(21-63)87-60)94-57-46(79)42(75)38(71)27(3)84-57/h27,29-35,37-60,63-67,69,71-82H,5-26H2,1-4H3,(H,61,68)(H,62,70)/t27-,29-,30+,31+,32+,33+,34+,35+,37+,38+,39-,40-,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][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C@H:30]([C@H:29]([CH2:26][O:83][C@H:56]1[C@H:47]([OH:80])[C@@H:44]([OH:77])[C@H:50]([O:90][C@H:58]2[C@H:48]([OH:81])[C@@H:45]([OH:78])[C@@H:51]([O:91][C@@H:59]3[C@H:49]([OH:82])[C@@H:53]([O:93][C@H:55]4[C@H:37]([N:61]=[C:28]([CH3:4])[OH:68])[C@@H:52]([O:92][C@H:60]5[C@H:54]([O:94][C@H:57]6[C@@H:46]([OH:79])[C@H:42]([OH:75])[C@H:38]([OH:71])[C@H:27]([CH3:3])[O:84]6)[C@@H:43]([OH:76])[C@@H:39]([OH:72])[C@@H:31]([CH2:21][OH:63])[O:87]5)[C@@H:40]([OH:73])[C@@H:32]([CH2:22][OH:64])[O:85]4)[C@@H:41]([OH:74])[C@@H:33]([CH2:23][OH:65])[O:86]3)[C@@H:35]([CH2:25][OH:67])[O:89]2)[C@@H:34]([CH2:24][OH:66])[O:88]1)[N:62]=[C:36]([CH2:19][CH2:6][CH3:2])[OH:70])[OH:69] |
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