| Properties | Image |
|---|
| MNX_ID | MNXM524030 |
 |
| reference | slm:000485893 |
| formula | C49H89N2O16 |
| global charge | -1 |
| mol weight | 962.249 |
| InChIKey | WAGRZWDYINZCOO-QWBCYKPOSA-M |
| InChI | InChI=1S/C49H90N2O16/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-36(55)35(51-40(58)29-27-25-23-21-18-15-13-11-9-7-5-2)33-64-47-44(61)46(43(60)39(32-53)65-47)67-49(48(62)63)30-37(56)41(50-34(3)54)45(66-49)42(59)38(57)31-52/h26,28,35-39,41-47,52-53,55-57,59-61H,4-25,27,29-33H2,1-3H3,(H,50,54)(H,51,58)(H,62,63)/p-1/b28-26+/t35-,36+,37-,38+,39+,41+,42+,43-,44+,45+,46-,47+,49-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)NC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90N2O16/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-36(55)35(51-40(58)29-27-25-23-21-18-15-13-11-9-7-5-2)33-64-47-44(61)46(43(60)39(32-53)65-47)67-49(48(62)63)30-37(56)41(50-34(3)54)45(66-49)42(59)38(57)31-52/h26,28,35-39,41-47,52-53,55-57,59-61H,4-25,27,29-33H2,1-3H3,(H,50,54)(H,51,58)(H,62,63)/b28-26+/t35-,36+,37-,38+,39+,41+,42+,43-,44+,45+,46-,47+,49-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24]/[CH:26]=[CH:28]/[C@H:36]([C@H:35]([CH2:33][O:64][C@H:47]1[C@H:44]([OH:61])[C@@H:46]([O:67][C@:49]2([C:48](=[O:62])[OH:63])[CH2:30][C@H:37]([OH:56])[C@@H:41]([N:50]=[C:34]([CH3:3])[OH:54])[C@H:45]([C@@H:42]([C@@H:38]([CH2:31][OH:52])[OH:57])[OH:59])[O:66]2)[C@@H:43]([OH:60])[C@@H:39]([CH2:32][OH:53])[O:65]1)[N:51]=[C:40]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:58])[OH:55] |
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