| Properties | Image |
|---|
| MNX_ID | MNXM522063 |
 |
| reference | slm:000487826 |
| formula | C58H102N2O18 |
| global charge | 0 |
| mol weight | 1115.45 |
| InChIKey | OONTZJIFRMXVBZ-ZKTNDLTQSA-N |
| InChI | InChI=1S/C58H102N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-46(66)60-41(42(65)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)39-73-57-52(71)50(69)55(44(37-62)75-57)78-58-53(72)51(70)54(45(38-63)76-58)77-56-47(59-40(3)64)49(68)48(67)43(36-61)74-56/h6,8,12,14,18-19,32,34,41-45,47-58,61-63,65,67-72H,4-5,7,9-11,13,15-17,20-31,33,35-39H2,1-3H3,(H,59,64)(H,60,66)/b8-6-,14-12-,19-18-,34-32+/t41-,42+,43+,44+,45+,47+,48-,49+,50+,51+,52+,53+,54-,55+,56-,57+,58-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)N[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]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H102N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-46(66)60-41(42(65)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)39-73-57-52(71)50(69)55(44(37-62)75-57)78-58-53(72)51(70)54(45(38-63)76-58)77-56-47(59-40(3)64)49(68)48(67)43(36-61)74-56/h6,8,12,14,18-19,32,34,41-45,47-58,61-63,65,67-72H,4-5,7,9-11,13,15-17,20-31,33,35-39H2,1-3H3,(H,59,64)(H,60,66)/b8-6-,14-12-,19-18-,34-32+/t41-,42+,43+,44+,45+,47+,48-,49+,50+,51+,52+,53+,54-,55+,56-,57+,58-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:46](=[N:60][C@@H:41]([CH2:39][O:73][C@H:57]1[C@H:52]([OH:71])[C@@H:50]([OH:69])[C@H:55]([O:78][C@H:58]2[C@H:53]([OH:72])[C@@H:51]([OH:70])[C@@H:54]([O:77][C@H:56]3[C@H:47]([N:59]=[C:40]([CH3:3])[OH:64])[C@@H:49]([OH:68])[C@@H:48]([OH:67])[C@@H:43]([CH2:36][OH:61])[O:74]3)[C@@H:45]([CH2:38][OH:63])[O:76]2)[C@@H:44]([CH2:37][OH:62])[O:75]1)[C@@H:42](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:65])[OH:66] |
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