| Properties | Image |
|---|
| MNX_ID | MNXM1062575 |
 |
| reference | slm:000755203 |
| formula | C98H170N4O38 |
| global charge | 0 |
| mol weight | 2012.428 |
| InChIKey | DBHPVEURQRIFPY-BRKYUKMBSA-N |
| InChI | InChI=1S/C98H170N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-70(114)102-61(62(113)48-46-44-42-40-38-36-19-17-15-13-11-9-7-2)57-127-95-83(124)80(121)86(67(54-107)132-95)135-97-84(125)81(122)87(68(55-108)133-97)136-98-85(126)91(140-94-72(100-59(4)111)89(76(117)65(52-105)130-94)138-92-71(99-58(3)110)78(119)74(115)63(50-103)128-92)88(69(56-109)134-98)137-93-73(101-60(5)112)90(77(118)66(53-106)129-93)139-96-82(123)79(120)75(116)64(51-104)131-96/h14,16,20-21,23-24,26-27,29-30,61-69,71-98,103-109,113,115-126H,6-13,15,17-19,22,25,28,31-57H2,1-5H3,(H,99,110)(H,100,111)(H,101,112)(H,102,114)/b16-14-,21-20-,24-23-,27-26-,30-29-/t61-,62+,63+,64+,65+,66+,67+,68+,69+,71+,72+,73+,74-,75-,76-,77-,78+,79-,80+,81+,82+,83+,84+,85+,86+,87-,88-,89+,90+,91+,92+,93-,94-,95+,96-,97-,98+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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]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]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)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C98H170N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-70(114)102-61(62(113)48-46-44-42-40-38-36-19-17-15-13-11-9-7-2)57-127-95-83(124)80(121)86(67(54-107)132-95)135-97-84(125)81(122)87(68(55-108)133-97)136-98-85(126)91(140-94-72(100-59(4)111)89(76(117)65(52-105)130-94)138-92-71(99-58(3)110)78(119)74(115)63(50-103)128-92)88(69(56-109)134-98)137-93-73(101-60(5)112)90(77(118)66(53-106)129-93)139-96-82(123)79(120)75(116)64(51-104)131-96/h14,16,20-21,23-24,26-27,29-30,61-69,71-98,103-109,113,115-126H,6-13,15,17-19,22,25,28,31-57H2,1-5H3,(H,99,110)(H,100,111)(H,101,112)(H,102,114)/b16-14-,21-20-,24-23-,27-26-,30-29-/t61-,62+,63+,64+,65+,66+,67+,68+,69+,71+,72+,73+,74-,75-,76-,77-,78+,79-,80+,81+,82+,83+,84+,85+,86+,87-,88-,89+,90+,91+,92+,93-,94-,95+,96-,97-,98+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:70](=[N:102][C@@H:61]([CH2:57][O:127][C@H:95]1[C@H:83]([OH:124])[C@@H:80]([OH:121])[C@H:86]([O:135][C@H:97]2[C@H:84]([OH:125])[C@@H:81]([OH:122])[C@@H:87]([O:136][C@@H:98]3[C@H:85]([OH:126])[C@@H:91]([O:140][C@H:94]4[C@H:72]([N:100]=[C:59]([CH3:4])[OH:111])[C@@H:89]([O:138][C@@H:92]5[C@H:71]([N:99]=[C:58]([CH3:3])[OH:110])[C@@H:78]([OH:119])[C@@H:74]([OH:115])[C@@H:63]([CH2:50][OH:103])[O:128]5)[C@@H:76]([OH:117])[C@@H:65]([CH2:52][OH:105])[O:130]4)[C@@H:88]([O:137][C@H:93]4[C@H:73]([N:101]=[C:60]([CH3:5])[OH:112])[C@@H:90]([O:139][C@H:96]5[C@H:82]([OH:123])[C@@H:79]([OH:120])[C@@H:75]([OH:116])[C@@H:64]([CH2:51][OH:104])[O:131]5)[C@@H:77]([OH:118])[C@@H:66]([CH2:53][OH:106])[O:129]4)[C@@H:69]([CH2:56][OH:109])[O:134]3)[C@@H:68]([CH2:55][OH:108])[O:133]2)[C@@H:67]([CH2:54][OH:107])[O:132]1)[C@@H:62]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:113])[OH:114] |
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