| Properties | Image |
|---|
| MNX_ID | MNXM8780 |
 |
| reference | biggM:fucacngal14acglcgalgluside_hs |
| formula | C62H106N3O35 |
| global charge | -1 |
| mol weight | 1453.516 |
| InChIKey | FYESHYJKKINHMB-WHOXPQKFSA-M |
| InChI | InChI=1S/C62H107N3O35/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(74)30(63-26-71)25-89-57-47(84)45(82)50(36(23-69)94-57)95-59-48(85)54(42(79)34(21-67)91-59)98-56-39(65-29(4)73)53(97-58-46(83)44(81)40(77)27(2)90-58)51(37(24-70)93-56)96-60-49(86)55(43(80)35(22-68)92-60)100-62(61(87)88)19-32(75)38(64-28(3)72)52(99-62)41(78)33(76)20-66/h17-18,26-27,30-60,66-70,74-86H,5-16,19-25H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,87,88)/p-1/b18-17+/t27-,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-,62-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[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]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC=O |
MNX internals
| InChI (mnx) | InChI=1/C62H107N3O35/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(74)30(63-26-71)25-89-57-47(84)45(82)50(36(23-69)94-57)95-59-48(85)54(42(79)34(21-67)91-59)98-56-39(65-29(4)73)53(97-58-46(83)44(81)40(77)27(2)90-58)51(37(24-70)93-56)96-60-49(86)55(43(80)35(22-68)92-60)100-62(61(87)88)19-32(75)38(64-28(3)72)52(99-62)41(78)33(76)20-66/h17-18,26-27,30-60,66-70,74-86H,5-16,19-25H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,87,88)/b18-17+/t27-,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-,62-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C@H:31]([C@H:30]([CH2:25][O:89][C@H:57]1[C@H:47]([OH:84])[C@@H:45]([OH:82])[C@H:50]([O:95][C@H:59]2[C@H:48]([OH:85])[C@@H:54]([O:98][C@H:56]3[C@H:39]([N:65]=[C:29]([CH3:4])[OH:73])[C@@H:53]([O:97][C@H:58]4[C@@H:46]([OH:83])[C@H:44]([OH:81])[C@H:40]([OH:77])[C@H:27]([CH3:2])[O:90]4)[C@H:51]([O:96][C@H:60]4[C@H:49]([OH:86])[C@@H:55]([O:100][C@:62]5([C:61](=[O:87])[OH:88])[CH2:19][C@H:32]([OH:75])[C@@H:38]([N:64]=[C:28]([CH3:3])[OH:72])[C@H:52]([C@@H:41]([C@@H:33]([CH2:20][OH:66])[OH:76])[OH:78])[O:99]5)[C@@H:43]([OH:80])[C@@H:35]([CH2:22][OH:68])[O:92]4)[C@@H:37]([CH2:24][OH:70])[O:93]3)[C@@H:42]([OH:79])[C@@H:34]([CH2:21][OH:67])[O:91]2)[C@@H:36]([CH2:23][OH:69])[O:94]1)[N:63]=[CH:26][OH:71])[OH:74] |
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