| Properties | Image |
|---|
| MNX_ID | MNXM9231 |
 |
| reference | biggM:acngalacglcgal14acglcgalgluside_hs |
| formula | C71H122N4O41 |
| global charge | 0 |
| mol weight | 1687.744 |
| InChIKey | DKFPAZPUUSLXBX-RFNWSYJBSA-N |
| InChI | InChI=1S/C71H122N4O41/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(87)33(72-29(2)83)28-103-66-53(97)52(96)59(42(27-82)109-66)112-68-55(99)62(48(92)38(23-78)105-68)114-64-44(74-31(4)85)50(94)57(40(25-80)107-64)110-67-54(98)61(47(91)37(22-77)104-67)113-65-45(75-32(5)86)51(95)58(41(26-81)108-65)111-69-56(100)63(49(93)39(24-79)106-69)116-71(70(101)102)20-35(88)43(73-30(3)84)60(115-71)46(90)36(89)21-76/h18-19,33-69,76-82,87-100H,6-17,20-28H2,1-5H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,101,102)/b19-18+/t33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66+,67-,68-,69-,71-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C71H122N4O41/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(87)33(72-29(2)83)28-103-66-53(97)52(96)59(42(27-82)109-66)112-68-55(99)62(48(92)38(23-78)105-68)114-64-44(74-31(4)85)50(94)57(40(25-80)107-64)110-67-54(98)61(47(91)37(22-77)104-67)113-65-45(75-32(5)86)51(95)58(41(26-81)108-65)111-69-56(100)63(49(93)39(24-79)106-69)116-71(70(101)102)20-35(88)43(73-30(3)84)60(115-71)46(90)36(89)21-76/h18-19,33-69,76-82,87-100H,6-17,20-28H2,1-5H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,101,102)/b19-18+/t33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66+,67-,68-,69-,71-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:34]([C@H:33]([CH2:28][O:103][C@H:66]1[C@H:53]([OH:97])[C@@H:52]([OH:96])[C@H:59]([O:112][C@H:68]2[C@H:55]([OH:99])[C@@H:62]([O:114][C@H:64]3[C@H:44]([N:74]=[C:31]([CH3:4])[OH:85])[C@@H:50]([OH:94])[C@H:57]([O:110][C@H:67]4[C@H:54]([OH:98])[C@@H:61]([O:113][C@H:65]5[C@H:45]([N:75]=[C:32]([CH3:5])[OH:86])[C@@H:51]([OH:95])[C@H:58]([O:111][C@H:69]6[C@H:56]([OH:100])[C@@H:63]([O:116][C@:71]7([C:70](=[O:101])[OH:102])[CH2:20][C@H:35]([OH:88])[C@@H:43]([N:73]=[C:30]([CH3:3])[OH:84])[C@H:60]([C@@H:46]([C@@H:36]([CH2:21][OH:76])[OH:89])[OH:90])[O:115]7)[C@@H:49]([OH:93])[C@@H:39]([CH2:24][OH:79])[O:106]6)[C@@H:41]([CH2:26][OH:81])[O:108]5)[C@@H:47]([OH:91])[C@@H:37]([CH2:22][OH:77])[O:104]4)[C@@H:40]([CH2:25][OH:80])[O:107]3)[C@@H:48]([OH:92])[C@@H:38]([CH2:23][OH:78])[O:105]2)[C@@H:42]([CH2:27][OH:82])[O:109]1)[N:72]=[C:29]([CH3:2])[OH:83])[OH:87] |
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