| Properties | Image |
|---|
| MNX_ID | MNXM1065592 |
 |
| reference | slm:000758701 |
| formula | C61H114N2O23 |
| global charge | 0 |
| mol weight | 1243.574 |
| InChIKey | DZGSHCKMCPYWRL-YATQAMKUSA-N |
| InChI | InChI=1S/C61H114N2O23/c1-5-6-7-8-9-10-11-12-15-18-21-24-27-30-40(69)39(63-45(70)31-28-25-22-19-16-13-14-17-20-23-26-29-37(2)3)36-79-59-53(77)50(74)56(43(34-66)82-59)85-61-54(78)51(75)55(44(35-67)83-61)84-58-46(62-38(4)68)57(48(72)42(33-65)80-58)86-60-52(76)49(73)47(71)41(32-64)81-60/h37,39-44,46-61,64-67,69,71-78H,5-36H2,1-4H3,(H,62,68)(H,63,70)/t39-,40+,41+,42+,43+,44+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57+,58-,59+,60-,61-/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]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C61H114N2O23/c1-5-6-7-8-9-10-11-12-15-18-21-24-27-30-40(69)39(63-45(70)31-28-25-22-19-16-13-14-17-20-23-26-29-37(2)3)36-79-59-53(77)50(74)56(43(34-66)82-59)85-61-54(78)51(75)55(44(35-67)83-61)84-58-46(62-38(4)68)57(48(72)42(33-65)80-58)86-60-52(76)49(73)47(71)41(32-64)81-60/h37,39-44,46-61,64-67,69,71-78H,5-36H2,1-4H3,(H,62,68)(H,63,70)/t39-,40+,41+,42+,43+,44+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57+,58-,59+,60-,61-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][C@H:40]([C@H:39]([CH2:36][O:79][C@H:59]1[C@H:53]([OH:77])[C@@H:50]([OH:74])[C@H:56]([O:85][C@H:61]2[C@H:54]([OH:78])[C@@H:51]([OH:75])[C@@H:55]([O:84][C@H:58]3[C@H:46]([N:62]=[C:38]([CH3:4])[OH:68])[C@@H:57]([O:86][C@H:60]4[C@H:52]([OH:76])[C@@H:49]([OH:73])[C@@H:47]([OH:71])[C@@H:41]([CH2:32][OH:64])[O:81]4)[C@@H:48]([OH:72])[C@@H:42]([CH2:33][OH:65])[O:80]3)[C@@H:44]([CH2:35][OH:67])[O:83]2)[C@@H:43]([CH2:34][OH:66])[O:82]1)[N:63]=[C:45]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH:37]([CH3:2])[CH3:3])[OH:70])[OH:69] |
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