| Properties | Image |
|---|
| MNX_ID | MNXM1062996 |
 |
| reference | slm:000755632 |
| formula | C38H71NO18 |
| global charge | 0 |
| mol weight | 829.975 |
| InChIKey | ZQCWFBZPGSABNC-BYDXWZPESA-N |
| InChI | InChI=1S/C38H71NO18/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(44)22(39-21(2)43)20-52-36-32(50)30(48)34(26(19-42)55-36)56-38-33(51)35(28(46)25(18-41)54-38)57-37-31(49)29(47)27(45)24(17-40)53-37/h22-38,40-42,44-51H,3-20H2,1-2H3,(H,39,43)/t22-,23+,24+,25+,26+,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37+,38-/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](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)NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C38H71NO18/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(44)22(39-21(2)43)20-52-36-32(50)30(48)34(26(19-42)55-36)56-38-33(51)35(28(46)25(18-41)54-38)57-37-31(49)29(47)27(45)24(17-40)53-37/h22-38,40-42,44-51H,3-20H2,1-2H3,(H,39,43)/t22-,23+,24+,25+,26+,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37+,38-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C@H:23]([C@H:22]([CH2:20][O:52][C@H:36]1[C@H:32]([OH:50])[C@@H:30]([OH:48])[C@H:34]([O:56][C@H:38]2[C@H:33]([OH:51])[C@@H:35]([O:57][C@@H:37]3[C@H:31]([OH:49])[C@@H:29]([OH:47])[C@@H:27]([OH:45])[C@@H:24]([CH2:17][OH:40])[O:53]3)[C@@H:28]([OH:46])[C@@H:25]([CH2:18][OH:41])[O:54]2)[C@@H:26]([CH2:19][OH:42])[O:55]1)[N:39]=[C:21]([CH3:2])[OH:43])[OH:44] |
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