| Properties | Image |
|---|
| MNX_ID | MNXM1062396 |
 |
| reference | slm:000755024 |
| formula | C85H146N4O46 |
| global charge | -2 |
| mol weight | 1960.085 |
| InChIKey | HHXFGPRYWUVSHN-QMTNRNNWSA-L |
| InChI | InChI=1S/C85H148N4O46/c1-5-6-7-8-9-10-11-12-13-14-17-20-23-26-43(100)42(87-53(104)27-24-21-18-15-16-19-22-25-40(2)3)39-122-78-66(114)64(112)70(51(35-95)126-78)128-79-67(115)65(113)71(52(36-96)127-79)129-80-68(116)75(61(109)48(32-92)124-80)131-77-58(86-41(4)99)72(60(108)47(31-91)123-77)130-81-69(117)76(62(110)49(33-93)125-81)135-85(83(120)121)29-45(102)57(89-55(106)38-98)74(134-85)63(111)50(34-94)132-84(82(118)119)28-44(101)56(88-54(105)37-97)73(133-84)59(107)46(103)30-90/h23,26,40,42-52,56-81,90-98,100-103,107-117H,5-22,24-25,27-39H2,1-4H3,(H,86,99)(H,87,104)(H,88,105)(H,89,106)(H,118,119)(H,120,121)/p-2/b26-23+/t42-,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,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-,84+,85-/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]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@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C85H148N4O46/c1-5-6-7-8-9-10-11-12-13-14-17-20-23-26-43(100)42(87-53(104)27-24-21-18-15-16-19-22-25-40(2)3)39-122-78-66(114)64(112)70(51(35-95)126-78)128-79-67(115)65(113)71(52(36-96)127-79)129-80-68(116)75(61(109)48(32-92)124-80)131-77-58(86-41(4)99)72(60(108)47(31-91)123-77)130-81-69(117)76(62(110)49(33-93)125-81)135-85(83(120)121)29-45(102)57(89-55(106)38-98)74(134-85)63(111)50(34-94)132-84(82(118)119)28-44(101)56(88-54(105)37-97)73(133-84)59(107)46(103)30-90/h23,26,40,42-52,56-81,90-98,100-103,107-117H,5-22,24-25,27-39H2,1-4H3,(H,86,99)(H,87,104)(H,88,105)(H,89,106)(H,118,119)(H,120,121)/b26-23+/t42-,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,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-,84+,85-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:17][CH2:20]/[CH:23]=[CH:26]/[C@H:43]([C@H:42]([CH2:39][O:122][C@H:78]1[C@H:66]([OH:114])[C@@H:64]([OH:112])[C@H:70]([O:128][C@H:79]2[C@H:67]([OH:115])[C@@H:65]([OH:113])[C@@H:71]([O:129][C@@H:80]3[C@H:68]([OH:116])[C@@H:75]([O:131][C@H:77]4[C@H:58]([N:86]=[C:41]([CH3:4])[OH:99])[C@@H:72]([O:130][C@H:81]5[C@H:69]([OH:117])[C@@H:76]([O:135][C@:85]6([C:83](=[O:120])[OH:121])[CH2:29][C@H:45]([OH:102])[C@@H:57]([N:89]=[C:55]([CH2:38][OH:98])[OH:106])[C@H:74]([C@@H:63]([C@@H:50]([CH2:34][OH:94])[O:132][C@:84]7([C:82](=[O:118])[OH:119])[CH2:28][C@H:44]([OH:101])[C@@H:56]([N:88]=[C:54]([CH2:37][OH:97])[OH:105])[C@H:73]([C@@H:59]([C@@H:46]([CH2:30][OH:90])[OH:103])[OH:107])[O:133]7)[OH:111])[O:134]6)[C@@H:62]([OH:110])[C@@H:49]([CH2:33][OH:93])[O:125]5)[C@@H:60]([OH:108])[C@@H:47]([CH2:31][OH:91])[O:123]4)[C@@H:61]([OH:109])[C@@H:48]([CH2:32][OH:92])[O:124]3)[C@@H:52]([CH2:36][OH:96])[O:127]2)[C@@H:51]([CH2:35][OH:95])[O:126]1)[N:87]=[C:53]([CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH:40]([CH3:2])[CH3:3])[OH:104])[OH:100] |
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