| Properties | Image |
|---|
| MNX_ID | MNXM1056644 |
 |
| reference | slm:000749183 |
| formula | C83H150N3O36 |
| global charge | -1 |
| mol weight | 1766.098 |
| InChIKey | DAMUCAOXMMQMOO-WJLQQFRHSA-M |
| InChI | InChI=1S/C83H151N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(98)86-49(50(95)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)46-111-78-67(105)65(103)71(56(44-91)115-78)117-79-68(106)66(104)72(57(45-92)116-79)118-80-69(107)75(63(101)54(42-89)113-80)120-77-60(85-48(4)94)73(62(100)53(41-88)112-77)119-81-70(108)76(64(102)55(43-90)114-81)122-83(82(109)110)39-51(96)59(84-47(3)93)74(121-83)61(99)52(97)40-87/h49-57,59-81,87-92,95-97,99-108H,5-46H2,1-4H3,(H,84,93)(H,85,94)(H,86,98)(H,109,110)/p-1/t49-,50+,51-,52+,53+,54+,55+,56+,57+,59+,60+,61+,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72-,73+,74+,75-,76-,77-,78+,79-,80+,81-,83-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=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@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C83H151N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(98)86-49(50(95)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)46-111-78-67(105)65(103)71(56(44-91)115-78)117-79-68(106)66(104)72(57(45-92)116-79)118-80-69(107)75(63(101)54(42-89)113-80)120-77-60(85-48(4)94)73(62(100)53(41-88)112-77)119-81-70(108)76(64(102)55(43-90)114-81)122-83(82(109)110)39-51(96)59(84-47(3)93)74(121-83)61(99)52(97)40-87/h49-57,59-81,87-92,95-97,99-108H,5-46H2,1-4H3,(H,84,93)(H,85,94)(H,86,98)(H,109,110)/t49-,50+,51-,52+,53+,54+,55+,56+,57+,59+,60+,61+,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72-,73+,74+,75-,76-,77-,78+,79-,80+,81-,83-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:58](=[N:86][C@@H:49]([CH2:46][O:111][C@H:78]1[C@H:67]([OH:105])[C@@H:65]([OH:103])[C@H:71]([O:117][C@H:79]2[C@H:68]([OH:106])[C@@H:66]([OH:104])[C@@H:72]([O:118][C@@H:80]3[C@H:69]([OH:107])[C@@H:75]([O:120][C@H:77]4[C@H:60]([N:85]=[C:48]([CH3:4])[OH:94])[C@@H:73]([O:119][C@H:81]5[C@H:70]([OH:108])[C@@H:76]([O:122][C@:83]6([C:82](=[O:109])[OH:110])[CH2:39][C@H:51]([OH:96])[C@@H:59]([N:84]=[C:47]([CH3:3])[OH:93])[C@H:74]([C@@H:61]([C@@H:52]([CH2:40][OH:87])[OH:97])[OH:99])[O:121]6)[C@@H:64]([OH:102])[C@@H:55]([CH2:43][OH:90])[O:114]5)[C@@H:62]([OH:100])[C@@H:53]([CH2:41][OH:88])[O:112]4)[C@@H:63]([OH:101])[C@@H:54]([CH2:42][OH:89])[O:113]3)[C@@H:57]([CH2:45][OH:92])[O:116]2)[C@@H:56]([CH2:44][OH:91])[O:115]1)[C@@H:50]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:95])[OH:98] |
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