| Properties | Image |
|---|
| MNX_ID | MNXM1061876 |
 |
| reference | slm:000754488 |
| formula | C70H119N2O31S |
| global charge | -1 |
| mol weight | 1516.772 |
| InChIKey | XUVWCXUQFSGYJD-IZTZFHNKSA-M |
| InChI | InChI=1S/C70H120N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(80)72-43(44(79)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-93-67-57(86)55(84)61(48(39-76)97-67)99-68-58(87)56(85)62(49(40-77)98-68)100-69-59(88)64(53(82)46(37-74)95-69)102-66-51(71-42(3)78)63(52(81)45(36-73)94-66)101-70-60(89)65(103-104(90,91)92)54(83)47(38-75)96-70/h12,14,18-19,21,23,27,29,32,34,43-49,51-70,73-77,79,81-89H,4-11,13,15-17,20,22,24-26,28,30-31,33,35-41H2,1-3H3,(H,71,78)(H,72,80)(H,90,91,92)/p-1/b14-12-,19-18-,23-21-,29-27-,34-32+/t43-,44+,45+,46+,47+,48+,49+,51+,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62-,63+,64-,65-,66-,67+,68-,69+,70-/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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H120N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(80)72-43(44(79)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-93-67-57(86)55(84)61(48(39-76)97-67)99-68-58(87)56(85)62(49(40-77)98-68)100-69-59(88)64(53(82)46(37-74)95-69)102-66-51(71-42(3)78)63(52(81)45(36-73)94-66)101-70-60(89)65(103-104(90,91)92)54(83)47(38-75)96-70/h12,14,18-19,21,23,27,29,32,34,43-49,51-70,73-77,79,81-89H,4-11,13,15-17,20,22,24-26,28,30-31,33,35-41H2,1-3H3,(H,71,78)(H,72,80)(H,90,91,92)/b14-12-,19-18-,23-21-,29-27-,34-32+/t43-,44+,45+,46+,47+,48+,49+,51+,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62-,63+,64-,65-,66-,67+,68-,69+,70-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][C:50](=[N:72][C@@H:43]([CH2:41][O:93][C@H:67]1[C@H:57]([OH:86])[C@@H:55]([OH:84])[C@H:61]([O:99][C@H:68]2[C@H:58]([OH:87])[C@@H:56]([OH:85])[C@@H:62]([O:100][C@@H:69]3[C@H:59]([OH:88])[C@@H:64]([O:102][C@H:66]4[C@H:51]([N:71]=[C:42]([CH3:3])[OH:78])[C@@H:63]([O:101][C@H:70]5[C@H:60]([OH:89])[C@@H:65]([O:103][S:104]([OH:90])(=[O:91])=[O:92])[C@@H:54]([OH:83])[C@@H:47]([CH2:38][OH:75])[O:96]5)[C@@H:52]([OH:81])[C@@H:45]([CH2:36][OH:73])[O:94]4)[C@@H:53]([OH:82])[C@@H:46]([CH2:37][OH:74])[O:95]3)[C@@H:49]([CH2:40][OH:77])[O:98]2)[C@@H:48]([CH2:39][OH:76])[O:97]1)[C@@H:44](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:79])[OH:80] |
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