| Properties | Image |
|---|
| MNX_ID | MNXM1062748 |
 |
| reference | slm:000755384 |
| formula | C86H154N4O42 |
| global charge | 0 |
| mol weight | 1916.164 |
| InChIKey | ZCHRYJVRHUJJAD-VCQDXLNSSA-N |
| InChI | InChI=1S/C86H154N4O42/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-46(101)45(90-54(102)32-30-28-26-24-21-18-16-14-12-10-8-2)40-117-82-69(114)66(111)72(51(37-95)123-82)126-84-70(115)67(112)73(52(38-96)124-84)127-85-71(116)77(131-81-56(88-43(5)99)75(61(106)49(35-93)121-81)129-79-55(87-42(4)98)63(108)59(104)47(33-91)119-79)74(53(39-97)125-85)128-80-57(89-44(6)100)76(62(107)50(36-94)120-80)130-86-78(65(110)60(105)48(34-92)122-86)132-83-68(113)64(109)58(103)41(3)118-83/h41,45-53,55-86,91-97,101,103-116H,7-40H2,1-6H3,(H,87,98)(H,88,99)(H,89,100)(H,90,102)/t41-,45-,46+,47+,48+,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60-,61-,62-,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 | 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]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](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](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]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H154N4O42/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-46(101)45(90-54(102)32-30-28-26-24-21-18-16-14-12-10-8-2)40-117-82-69(114)66(111)72(51(37-95)123-82)126-84-70(115)67(112)73(52(38-96)124-84)127-85-71(116)77(131-81-56(88-43(5)99)75(61(106)49(35-93)121-81)129-79-55(87-42(4)98)63(108)59(104)47(33-91)119-79)74(53(39-97)125-85)128-80-57(89-44(6)100)76(62(107)50(36-94)120-80)130-86-78(65(110)60(105)48(34-92)122-86)132-83-68(113)64(109)58(103)41(3)118-83/h41,45-53,55-86,91-97,101,103-116H,7-40H2,1-6H3,(H,87,98)(H,88,99)(H,89,100)(H,90,102)/t41-,45-,46+,47+,48+,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60-,61-,62-,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][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C@H:46]([C@H:45]([CH2:40][O:117][C@H:82]1[C@H:69]([OH:114])[C@@H:66]([OH:111])[C@H:72]([O:126][C@H:84]2[C@H:70]([OH:115])[C@@H:67]([OH:112])[C@@H:73]([O:127][C@@H:85]3[C@H:71]([OH:116])[C@@H:77]([O:131][C@H:81]4[C@H:56]([N:88]=[C:43]([CH3:5])[OH:99])[C@@H:75]([O:129][C@@H:79]5[C@H:55]([N:87]=[C:42]([CH3:4])[OH:98])[C@@H:63]([OH:108])[C@@H:59]([OH:104])[C@@H:47]([CH2:33][OH:91])[O:119]5)[C@@H:61]([OH:106])[C@@H:49]([CH2:35][OH:93])[O:121]4)[C@@H:74]([O:128][C@H:80]4[C@H:57]([N:89]=[C:44]([CH3:6])[OH:100])[C@@H:76]([O:130][C@H:86]5[C@H:78]([O:132][C@H:83]6[C@@H:68]([OH:113])[C@H:64]([OH:109])[C@H:58]([OH:103])[C@H:41]([CH3:3])[O:118]6)[C@@H:65]([OH:110])[C@@H:60]([OH:105])[C@@H:48]([CH2:34][OH:92])[O:122]5)[C@@H:62]([OH:107])[C@@H:50]([CH2:36][OH:94])[O:120]4)[C@@H:53]([CH2:39][OH:97])[O:125]3)[C@@H:52]([CH2:38][OH:96])[O:124]2)[C@@H:51]([CH2:37][OH:95])[O:123]1)[N:90]=[C:54]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:102])[OH:101] |
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