| Properties | Image |
|---|
| MNX_ID | MNXM1058043 |
 |
| reference | slm:000750607 |
| formula | C77H139N3O38 |
| global charge | 0 |
| mol weight | 1714.942 |
| InChIKey | BZHUMPNJPYLCMZ-OECLIJAISA-N |
| InChI | InChI=1S/C77H139N3O38/c1-5-7-9-11-13-15-17-18-19-20-22-24-26-28-41(90)40(80-49(91)29-27-25-23-21-16-14-12-10-8-6-2)37-105-73-61(101)58(98)66(47(35-86)111-73)114-75-62(102)59(99)67(48(36-87)112-75)115-77-63(103)69(54(94)44(32-83)109-77)117-71-50(78-38(3)88)56(96)65(46(34-85)110-71)113-76-64(104)70(55(95)45(33-84)108-76)118-72-51(79-39(4)89)68(53(93)43(31-82)106-72)116-74-60(100)57(97)52(92)42(30-81)107-74/h40-48,50-77,81-87,90,92-104H,5-37H2,1-4H3,(H,78,88)(H,79,89)(H,80,91)/t40-,41+,42+,43+,44+,45+,46+,47+,48+,50+,51+,52-,53-,54-,55-,56+,57-,58+,59+,60+,61+,62+,63+,64+,65-,66+,67-,68+,69-,70-,71-,72-,73+,74+,75-,76+,77+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCC[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]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H139N3O38/c1-5-7-9-11-13-15-17-18-19-20-22-24-26-28-41(90)40(80-49(91)29-27-25-23-21-16-14-12-10-8-6-2)37-105-73-61(101)58(98)66(47(35-86)111-73)114-75-62(102)59(99)67(48(36-87)112-75)115-77-63(103)69(54(94)44(32-83)109-77)117-71-50(78-38(3)88)56(96)65(46(34-85)110-71)113-76-64(104)70(55(95)45(33-84)108-76)118-72-51(79-39(4)89)68(53(93)43(31-82)106-72)116-74-60(100)57(97)52(92)42(30-81)107-74/h40-48,50-77,81-87,90,92-104H,5-37H2,1-4H3,(H,78,88)(H,79,89)(H,80,91)/t40-,41+,42+,43+,44+,45+,46+,47+,48+,50+,51+,52-,53-,54-,55-,56+,57-,58+,59+,60+,61+,62+,63+,64+,65-,66+,67-,68+,69-,70-,71-,72-,73+,74+,75-,76+,77+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C@H:41]([C@H:40]([CH2:37][O:105][C@H:73]1[C@H:61]([OH:101])[C@@H:58]([OH:98])[C@H:66]([O:114][C@H:75]2[C@H:62]([OH:102])[C@@H:59]([OH:99])[C@@H:67]([O:115][C@@H:77]3[C@H:63]([OH:103])[C@@H:69]([O:117][C@H:71]4[C@H:50]([N:78]=[C:38]([CH3:3])[OH:88])[C@@H:56]([OH:96])[C@@H:65]([O:113][C@@H:76]5[C@H:64]([OH:104])[C@@H:70]([O:118][C@H:72]6[C@H:51]([N:79]=[C:39]([CH3:4])[OH:89])[C@@H:68]([O:116][C@@H:74]7[C@H:60]([OH:100])[C@@H:57]([OH:97])[C@@H:52]([OH:92])[C@@H:42]([CH2:30][OH:81])[O:107]7)[C@@H:53]([OH:93])[C@@H:43]([CH2:31][OH:82])[O:106]6)[C@@H:55]([OH:95])[C@@H:45]([CH2:33][OH:84])[O:108]5)[C@@H:46]([CH2:34][OH:85])[O:110]4)[C@@H:54]([OH:94])[C@@H:44]([CH2:32][OH:83])[O:109]3)[C@@H:48]([CH2:36][OH:87])[O:112]2)[C@@H:47]([CH2:35][OH:86])[O:111]1)[N:80]=[C:49]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:91])[OH:90] |
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