| Properties | Image |
|---|
| MNX_ID | MNXM1056605 |
 |
| reference | slm:000749142 |
| formula | C99H172N3O36 |
| global charge | -1 |
| mol weight | 1980.45 |
| InChIKey | CKODHSUSTVOPFA-OFVZYJFZSA-M |
| InChI | InChI=1S/C99H173N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-74(114)102-65(66(111)53-51-49-47-45-43-41-18-16-14-12-10-8-6-2)62-127-94-83(121)81(119)87(72(60-107)131-94)133-95-84(122)82(120)88(73(61-108)132-95)134-96-85(123)91(79(117)70(58-105)129-96)136-93-76(101-64(4)110)89(78(116)69(57-104)128-93)135-97-86(124)92(80(118)71(59-106)130-97)138-99(98(125)126)55-67(112)75(100-63(3)109)90(137-99)77(115)68(113)56-103/h13,15,19-20,22-23,25-26,51,53,65-73,75-97,103-108,111-113,115-124H,5-12,14,16-18,21,24,27-50,52,54-62H2,1-4H3,(H,100,109)(H,101,110)(H,102,114)(H,125,126)/p-1/b15-13-,20-19-,23-22-,26-25-,53-51+/t65-,66+,67-,68+,69+,70+,71+,72+,73+,75+,76+,77+,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88-,89+,90+,91-,92-,93-,94+,95-,96+,97-,99-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\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)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C99H173N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-74(114)102-65(66(111)53-51-49-47-45-43-41-18-16-14-12-10-8-6-2)62-127-94-83(121)81(119)87(72(60-107)131-94)133-95-84(122)82(120)88(73(61-108)132-95)134-96-85(123)91(79(117)70(58-105)129-96)136-93-76(101-64(4)110)89(78(116)69(57-104)128-93)135-97-86(124)92(80(118)71(59-106)130-97)138-99(98(125)126)55-67(112)75(100-63(3)109)90(137-99)77(115)68(113)56-103/h13,15,19-20,22-23,25-26,51,53,65-73,75-97,103-108,111-113,115-124H,5-12,14,16-18,21,24,27-50,52,54-62H2,1-4H3,(H,100,109)(H,101,110)(H,102,114)(H,125,126)/b15-13-,20-19-,23-22-,26-25-,53-51+/t65-,66+,67-,68+,69+,70+,71+,72+,73+,75+,76+,77+,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88-,89+,90+,91-,92-,93-,94+,95-,96+,97-,99-/m0/s1 |
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| 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][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:74](=[N:102][C@@H:65]([CH2:62][O:127][C@H:94]1[C@H:83]([OH:121])[C@@H:81]([OH:119])[C@H:87]([O:133][C@H:95]2[C@H:84]([OH:122])[C@@H:82]([OH:120])[C@@H:88]([O:134][C@@H:96]3[C@H:85]([OH:123])[C@@H:91]([O:136][C@H:93]4[C@H:76]([N:101]=[C:64]([CH3:4])[OH:110])[C@@H:89]([O:135][C@H:97]5[C@H:86]([OH:124])[C@@H:92]([O:138][C@:99]6([C:98](=[O:125])[OH:126])[CH2:55][C@H:67]([OH:112])[C@@H:75]([N:100]=[C:63]([CH3:3])[OH:109])[C@H:90]([C@@H:77]([C@@H:68]([CH2:56][OH:103])[OH:113])[OH:115])[O:137]6)[C@@H:80]([OH:118])[C@@H:71]([CH2:59][OH:106])[O:130]5)[C@@H:78]([OH:116])[C@@H:69]([CH2:57][OH:104])[O:128]4)[C@@H:79]([OH:117])[C@@H:70]([CH2:58][OH:105])[O:129]3)[C@@H:73]([CH2:61][OH:108])[O:132]2)[C@@H:72]([CH2:60][OH:107])[O:131]1)[C@@H:66](/[CH:53]=[CH:51]/[CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:111])[OH:114] |
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