| Properties | Image |
|---|
| MNX_ID | MNXM522743 |
 |
| reference | slm:000486172 |
| formula | C83H144N4O39 |
| global charge | -2 |
| mol weight | 1822.054 |
| InChIKey | OTGDRIBRVVQRSO-RXCIHFSWSA-L |
| InChI | InChI=1S/C83H146N4O39/c1-7-8-9-10-11-12-13-14-17-20-23-26-29-32-48(96)47(87-57(101)33-30-27-24-21-18-15-16-19-22-25-28-31-43(2)3)41-115-77-67(108)65(106)71(54(39-91)118-77)122-78-68(109)66(107)70(55(40-92)119-78)121-76-60(86-46(6)95)72(64(105)56(120-76)42-116-82(80(111)112)34-49(97)58(84-44(4)93)73(124-82)61(102)51(99)36-88)123-79-69(110)75(63(104)53(38-90)117-79)126-83(81(113)114)35-50(98)59(85-45(5)94)74(125-83)62(103)52(100)37-89/h29,32,43,47-56,58-79,88-92,96-100,102-110H,7-28,30-31,33-42H2,1-6H3,(H,84,93)(H,85,94)(H,86,95)(H,87,101)(H,111,112)(H,113,114)/p-2/b32-29+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,56+,58+,59+,60+,61+,62+,63-,64-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75-,76-,77+,78-,79-,82+,83-/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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C83H146N4O39/c1-7-8-9-10-11-12-13-14-17-20-23-26-29-32-48(96)47(87-57(101)33-30-27-24-21-18-15-16-19-22-25-28-31-43(2)3)41-115-77-67(108)65(106)71(54(39-91)118-77)122-78-68(109)66(107)70(55(40-92)119-78)121-76-60(86-46(6)95)72(64(105)56(120-76)42-116-82(80(111)112)34-49(97)58(84-44(4)93)73(124-82)61(102)51(99)36-88)123-79-69(110)75(63(104)53(38-90)117-79)126-83(81(113)114)35-50(98)59(85-45(5)94)74(125-83)62(103)52(100)37-89/h29,32,43,47-56,58-79,88-92,96-100,102-110H,7-28,30-31,33-42H2,1-6H3,(H,84,93)(H,85,94)(H,86,95)(H,87,101)(H,111,112)(H,113,114)/b32-29+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,56+,58+,59+,60+,61+,62+,63-,64-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75-,76-,77+,78-,79-,82+,83-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26]/[CH:29]=[CH:32]/[C@H:48]([C@H:47]([CH2:41][O:115][C@H:77]1[C@H:67]([OH:108])[C@@H:65]([OH:106])[C@H:71]([O:122][C@H:78]2[C@H:68]([OH:109])[C@@H:66]([OH:107])[C@@H:70]([O:121][C@H:76]3[C@H:60]([N:86]=[C:46]([CH3:6])[OH:95])[C@@H:72]([O:123][C@H:79]4[C@H:69]([OH:110])[C@@H:75]([O:126][C@:83]5([C:81](=[O:113])[OH:114])[CH2:35][C@H:50]([OH:98])[C@@H:59]([N:85]=[C:45]([CH3:5])[OH:94])[C@H:74]([C@@H:62]([C@@H:52]([CH2:37][OH:89])[OH:100])[OH:103])[O:125]5)[C@@H:63]([OH:104])[C@@H:53]([CH2:38][OH:90])[O:117]4)[C@@H:64]([OH:105])[C@@H:56]([CH2:42][O:116][C@:82]4([C:80](=[O:111])[OH:112])[CH2:34][C@H:49]([OH:97])[C@@H:58]([N:84]=[C:44]([CH3:4])[OH:93])[C@H:73]([C@@H:61]([C@@H:51]([CH2:36][OH:88])[OH:99])[OH:102])[O:124]4)[O:120]3)[C@@H:55]([CH2:40][OH:92])[O:119]2)[C@@H:54]([CH2:39][OH:91])[O:118]1)[N:87]=[C:57]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH:43]([CH3:2])[CH3:3])[OH:101])[OH:96] |
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