| Properties | Image |
|---|
| MNX_ID | MNXM1058368 |
 |
| reference | slm:000750932 |
| formula | C86H148N2O32 |
| global charge | 0 |
| mol weight | 1722.112 |
| InChIKey | KCSSFWDQBCYTQR-GLRLCXIESA-N |
| InChI | InChI=1S/C86H148N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-62(96)88-55(56(95)45-43-41-39-37-35-33-18-16-14-12-10-8-6-2)52-109-82-73(106)70(103)76(60(50-92)114-82)116-84-74(107)71(104)77(61(51-93)115-84)117-85-75(108)79(67(100)59(49-91)112-85)119-81-63(87-54(4)94)78(66(99)58(48-90)111-81)118-86-80(69(102)65(98)57(47-89)113-86)120-83-72(105)68(101)64(97)53(3)110-83/h13,15,19-20,22-23,25-26,28-29,43,45,53,55-61,63-86,89-93,95,97-108H,5-12,14,16-18,21,24,27,30-42,44,46-52H2,1-4H3,(H,87,94)(H,88,96)/b15-13-,20-19-,23-22-,26-25-,29-28-,45-43+/t53-,55-,56+,57+,58+,59+,60+,61+,63+,64+,65-,66-,67-,68+,69-,70+,71+,72-,73+,74+,75+,76+,77-,78+,79-,80+,81-,82+,83-,84-,85+,86-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](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/C86H148N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-62(96)88-55(56(95)45-43-41-39-37-35-33-18-16-14-12-10-8-6-2)52-109-82-73(106)70(103)76(60(50-92)114-82)116-84-74(107)71(104)77(61(51-93)115-84)117-85-75(108)79(67(100)59(49-91)112-85)119-81-63(87-54(4)94)78(66(99)58(48-90)111-81)118-86-80(69(102)65(98)57(47-89)113-86)120-83-72(105)68(101)64(97)53(3)110-83/h13,15,19-20,22-23,25-26,28-29,43,45,53,55-61,63-86,89-93,95,97-108H,5-12,14,16-18,21,24,27,30-42,44,46-52H2,1-4H3,(H,87,94)(H,88,96)/b15-13-,20-19-,23-22-,26-25-,29-28-,45-43+/t53-,55-,56+,57+,58+,59+,60+,61+,63+,64+,65-,66-,67-,68+,69-,70+,71+,72-,73+,74+,75+,76+,77-,78+,79-,80+,81-,82+,83-,84-,85+,86-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:62](=[N:88][C@@H:55]([CH2:52][O:109][C@H:82]1[C@H:73]([OH:106])[C@@H:70]([OH:103])[C@H:76]([O:116][C@H:84]2[C@H:74]([OH:107])[C@@H:71]([OH:104])[C@@H:77]([O:117][C@@H:85]3[C@H:75]([OH:108])[C@@H:79]([O:119][C@H:81]4[C@H:63]([N:87]=[C:54]([CH3:4])[OH:94])[C@@H:78]([O:118][C@H:86]5[C@H:80]([O:120][C@H:83]6[C@@H:72]([OH:105])[C@H:68]([OH:101])[C@H:64]([OH:97])[C@H:53]([CH3:3])[O:110]6)[C@@H:69]([OH:102])[C@@H:65]([OH:98])[C@@H:57]([CH2:47][OH:89])[O:113]5)[C@@H:66]([OH:99])[C@@H:58]([CH2:48][OH:90])[O:111]4)[C@@H:67]([OH:100])[C@@H:59]([CH2:49][OH:91])[O:112]3)[C@@H:61]([CH2:51][OH:93])[O:115]2)[C@@H:60]([CH2:50][OH:92])[O:114]1)[C@@H:56](/[CH:45]=[CH:43]/[CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:95])[OH:96] |
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