| Properties | Image |
|---|
| MNX_ID | MNXM522057 |
 |
| reference | slm:000487876 |
| formula | C56H98N2O18 |
| global charge | 0 |
| mol weight | 1087.396 |
| InChIKey | BGDPEWKNBZQIOI-TXEGKMKQSA-N |
| InChI | InChI=1S/C56H98N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h6,8,12,14,18-19,30,32,39-43,45-56,59-61,63,65-70H,4-5,7,9-11,13,15-17,20-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b8-6-,14-12-,19-18-,32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55+,56-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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/C56H98N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h6,8,12,14,18-19,30,32,39-43,45-56,59-61,63,65-70H,4-5,7,9-11,13,15-17,20-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b8-6-,14-12-,19-18-,32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55+,56-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:44](=[N:58][C@@H:39]([CH2:37][O:71][C@H:55]1[C@H:50]([OH:69])[C@@H:48]([OH:67])[C@H:53]([O:76][C@H:56]2[C@H:51]([OH:70])[C@@H:49]([OH:68])[C@@H:52]([O:75][C@H:54]3[C@H:45]([N:57]=[C:38]([CH3:3])[OH:62])[C@@H:47]([OH:66])[C@@H:46]([OH:65])[C@@H:41]([CH2:34][OH:59])[O:72]3)[C@@H:43]([CH2:36][OH:61])[O:74]2)[C@@H:42]([CH2:35][OH:60])[O:73]1)[C@@H:40](/[CH:32]=[CH:30]/[CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:63])[OH:64] |
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