| Properties | Image |
|---|
| MNX_ID | MNXM1063208 |
 |
| reference | slm:000755848 |
| formula | C56H99NO19 |
| global charge | 0 |
| mol weight | 1090.396 |
| InChIKey | ZOEVQLNVRPHOKS-LRUSIIACSA-N |
| InChI | InChI=1S/C56H99NO19/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-43(62)57-38(44(63)39(61)32-30-28-26-24-22-16-14-12-10-8-6-4-2)37-71-54-50(69)48(67)52(42(36-60)74-54)75-56-51(70)53(46(65)41(35-59)73-56)76-55-49(68)47(66)45(64)40(34-58)72-55/h11,13,17-18,20-21,25,27,38-42,44-56,58-61,63-70H,3-10,12,14-16,19,22-24,26,28-37H2,1-2H3,(H,57,62)/b13-11-,18-17-,21-20-,27-25-/t38-,39+,40+,41+,42+,44-,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55+,56-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H99NO19/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-43(62)57-38(44(63)39(61)32-30-28-26-24-22-16-14-12-10-8-6-4-2)37-71-54-50(69)48(67)52(42(36-60)74-54)75-56-51(70)53(46(65)41(35-59)73-56)76-55-49(68)47(66)45(64)40(34-58)72-55/h11,13,17-18,20-21,25,27,38-42,44-56,58-61,63-70H,3-10,12,14-16,19,22-24,26,28-37H2,1-2H3,(H,57,62)/b13-11-,18-17-,21-20-,27-25-/t38-,39+,40+,41+,42+,44-,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55+,56-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][C:43](=[N:57][C@@H:38]([CH2:37][O:71][C@H:54]1[C@H:50]([OH:69])[C@@H:48]([OH:67])[C@H:52]([O:75][C@H:56]2[C@H:51]([OH:70])[C@@H:53]([O:76][C@@H:55]3[C@H:49]([OH:68])[C@@H:47]([OH:66])[C@@H:45]([OH:64])[C@@H:40]([CH2:34][OH:58])[O:72]3)[C@@H:46]([OH:65])[C@@H:41]([CH2:35][OH:59])[O:73]2)[C@@H:42]([CH2:36][OH:60])[O:74]1)[C@@H:44]([C@@H:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:61])[OH:63])[OH:62] |
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