| Properties | Image |
|---|
| MNX_ID | MNXM1182765 |
 |
| reference | envipathM:...c11a34699aca |
| formula | C76H122N2O57 |
| global charge | -2 |
| mol weight | 1975.769 |
| InChIKey | VPPGJWKVWITCTL-DWZGCJBISA-L |
| InChI | InChI=1S/C76H124N2O57/c79-11-23-33(80)44(91)54(101)64(123-23)113-13-26-39(86)49(96)60(133-67-57(104)47(94)37(84)31(126-67)19-120-74(108)78-22-9-5-2-6-10-22)70(128-26)116-15-25-35(82)45(92)55(102)65(124-25)114-14-27-40(87)50(97)61(134-68-58(105)48(95)38(85)32(127-68)20-121-75(109)110)71(129-27)117-16-29-42(89)52(99)62(135-76(111)112)72(131-29)118-17-28-41(88)51(98)59(69(130-28)115-12-24-34(81)43(90)53(100)63(106)122-24)132-66-56(103)46(93)36(83)30(125-66)18-119-73(107)77-21-7-3-1-4-8-21/h21-72,79-106H,1-20H2,(H,77,107)(H,78,108)(H,109,110)(H,111,112)/p-2/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+/m1/s1 |
| SMILES | O=C([O-])OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](OC[C@H]5O[C@H](O)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@H](COC(=O)NC6CCCCC6)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H]4O)[C@H](OC(=O)[O-])[C@@H](O)[C@@H]3O)O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)NC5CCCCC5)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C76H124N2O57/c79-11-23-33(80)44(91)54(101)64(123-23)113-13-26-39(86)49(96)60(133-67-57(104)47(94)37(84)31(126-67)19-120-74(108)78-22-9-5-2-6-10-22)70(128-26)116-15-25-35(82)45(92)55(102)65(124-25)114-14-27-40(87)50(97)61(134-68-58(105)48(95)38(85)32(127-68)20-121-75(109)110)71(129-27)117-16-29-42(89)52(99)62(135-76(111)112)72(131-29)118-17-28-41(88)51(98)59(69(130-28)115-12-24-34(81)43(90)53(100)63(106)122-24)132-66-56(103)46(93)36(83)30(125-66)18-119-73(107)77-21-7-3-1-4-8-21/h21-72,79-106H,1-20H2,(H,77,107)(H,78,108)(H,109,110)(H,111,112)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:3][CH2:7][CH:21]([N:77]=[C:73]([OH:107])[O:119][CH2:18][C@@H:30]2[C@@H:36]([OH:83])[C@H:46]([OH:93])[C@@H:56]([OH:103])[C@H:66]([O:132][C@@H:59]3[C@@H:51]([OH:98])[C@H:41]([OH:88])[C@@H:28]([CH2:17][O:118][C@@H:72]4[C@H:62]([O:135][C:76](=[O:111])[OH:112])[C@@H:52]([OH:99])[C@H:42]([OH:89])[C@@H:29]([CH2:16][O:117][C@@H:71]5[C@H:61]([O:134][C@H:68]6[C@H:58]([OH:105])[C@@H:48]([OH:95])[C@H:38]([OH:85])[C@@H:32]([CH2:20][O:121][C:75](=[O:109])[OH:110])[O:127]6)[C@@H:50]([OH:97])[C@H:40]([OH:87])[C@@H:27]([CH2:14][O:114][C@@H:65]6[C@H:55]([OH:102])[C@@H:45]([OH:92])[C@H:35]([OH:82])[C@@H:25]([CH2:15][O:116][C@@H:70]7[C@H:60]([O:133][C@H:67]8[C@H:57]([OH:104])[C@@H:47]([OH:94])[C@H:37]([OH:84])[C@@H:31]([CH2:19][O:120][C:74](=[N:78][CH:22]9[CH2:9][CH2:5][CH2:2][CH2:6][CH2:10]9)[OH:108])[O:126]8)[C@@H:49]([OH:96])[C@H:39]([OH:86])[C@@H:26]([CH2:13][O:113][C@@H:64]8[C@H:54]([OH:101])[C@@H:44]([OH:91])[C@H:33]([OH:80])[C@@H:23]([CH2:11][OH:79])[O:123]8)[O:128]7)[O:124]6)[O:129]5)[O:131]4)[O:130][C@@H:69]3[O:115][CH2:12][C@@H:24]3[C@@H:34]([OH:81])[C@H:43]([OH:90])[C@@H:53]([OH:100])[C@@H:63]([OH:106])[O:122]3)[O:125]2)[CH2:8][CH2:4]1 |
|