| Properties | Image |
|---|
| MNX_ID | MNXM1057050 |
 |
| reference | slm:000749598 |
| formula | C75H126N4O44 |
| global charge | -2 |
| mol weight | 1787.817 |
| InChIKey | DGSXXGACPSGHDO-RZKXWICQSA-L |
| InChI | InChI=1S/C75H128N4O44/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-35(89)34(79-45(94)7-2)29-110-68-56(102)54(100)60(42(27-84)114-68)117-69-57(103)55(101)61(43(28-85)115-69)118-70-58(104)65(52(98)41(26-83)113-70)120-67-48(78-33(5)88)62(51(97)40(25-82)112-67)119-71-59(105)66(123-75(73(108)109)22-37(91)47(77-32(4)87)64(122-75)50(96)39(93)24-81)53(99)44(116-71)30-111-74(72(106)107)21-36(90)46(76-31(3)86)63(121-74)49(95)38(92)23-80/h19-20,34-44,46-71,80-85,89-93,95-105H,6-18,21-30H2,1-5H3,(H,76,86)(H,77,87)(H,78,88)(H,79,94)(H,106,107)(H,108,109)/p-2/b20-19+/t34-,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,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-,74+,75-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[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](O[C@@H]5O[C@H](CO[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](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)NC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C75H128N4O44/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-35(89)34(79-45(94)7-2)29-110-68-56(102)54(100)60(42(27-84)114-68)117-69-57(103)55(101)61(43(28-85)115-69)118-70-58(104)65(52(98)41(26-83)113-70)120-67-48(78-33(5)88)62(51(97)40(25-82)112-67)119-71-59(105)66(123-75(73(108)109)22-37(91)47(77-32(4)87)64(122-75)50(96)39(93)24-81)53(99)44(116-71)30-111-74(72(106)107)21-36(90)46(76-31(3)86)63(121-74)49(95)38(92)23-80/h19-20,34-44,46-71,80-85,89-93,95-105H,6-18,21-30H2,1-5H3,(H,76,86)(H,77,87)(H,78,88)(H,79,94)(H,106,107)(H,108,109)/b20-19+/t34-,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,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-,74+,75-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[C@H:35]([C@H:34]([CH2:29][O:110][C@H:68]1[C@H:56]([OH:102])[C@@H:54]([OH:100])[C@H:60]([O:117][C@H:69]2[C@H:57]([OH:103])[C@@H:55]([OH:101])[C@@H:61]([O:118][C@@H:70]3[C@H:58]([OH:104])[C@@H:65]([O:120][C@H:67]4[C@H:48]([N:78]=[C:33]([CH3:5])[OH:88])[C@@H:62]([O:119][C@H:71]5[C@H:59]([OH:105])[C@@H:66]([O:123][C@:75]6([C:73](=[O:108])[OH:109])[CH2:22][C@H:37]([OH:91])[C@@H:47]([N:77]=[C:32]([CH3:4])[OH:87])[C@H:64]([C@@H:50]([C@@H:39]([CH2:24][OH:81])[OH:93])[OH:96])[O:122]6)[C@@H:53]([OH:99])[C@@H:44]([CH2:30][O:111][C@:74]6([C:72](=[O:106])[OH:107])[CH2:21][C@H:36]([OH:90])[C@@H:46]([N:76]=[C:31]([CH3:3])[OH:86])[C@H:63]([C@@H:49]([C@@H:38]([CH2:23][OH:80])[OH:92])[OH:95])[O:121]6)[O:116]5)[C@@H:51]([OH:97])[C@@H:40]([CH2:25][OH:82])[O:112]4)[C@@H:52]([OH:98])[C@@H:41]([CH2:26][OH:83])[O:113]3)[C@@H:43]([CH2:28][OH:85])[O:115]2)[C@@H:42]([CH2:27][OH:84])[O:114]1)[N:79]=[C:45]([CH2:7][CH3:2])[OH:94])[OH:89] |
|