| Properties | Image |
|---|
| MNX_ID | MNXM1057049 |
 |
| reference | slm:000749597 |
| formula | C74H124N4O44 |
| global charge | -2 |
| mol weight | 1773.79 |
| InChIKey | YAGYOFUZZBNXIM-GMBUCZGPSA-L |
| InChI | InChI=1S/C74H126N4O44/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(89)34(75-30(2)85)28-109-67-55(101)53(99)59(42(26-83)113-67)116-68-56(102)54(100)60(43(27-84)114-68)117-69-57(103)64(51(97)41(25-82)112-69)119-66-47(78-33(5)88)61(50(96)40(24-81)111-66)118-70-58(104)65(122-74(72(107)108)21-37(91)46(77-32(4)87)63(121-74)49(95)39(93)23-80)52(98)44(115-70)29-110-73(71(105)106)20-36(90)45(76-31(3)86)62(120-73)48(94)38(92)22-79/h18-19,34-70,79-84,89-104H,6-17,20-29H2,1-5H3,(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,105,106)(H,107,108)/p-2/b19-18+/t34-,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-,73+,74-/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(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C74H126N4O44/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(89)34(75-30(2)85)28-109-67-55(101)53(99)59(42(26-83)113-67)116-68-56(102)54(100)60(43(27-84)114-68)117-69-57(103)64(51(97)41(25-82)112-69)119-66-47(78-33(5)88)61(50(96)40(24-81)111-66)118-70-58(104)65(122-74(72(107)108)21-37(91)46(77-32(4)87)63(121-74)49(95)39(93)23-80)52(98)44(115-70)29-110-73(71(105)106)20-36(90)45(76-31(3)86)62(120-73)48(94)38(92)22-79/h18-19,34-70,79-84,89-104H,6-17,20-29H2,1-5H3,(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,105,106)(H,107,108)/b19-18+/t34-,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-,73+,74-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:35]([C@H:34]([CH2:28][O:109][C@H:67]1[C@H:55]([OH:101])[C@@H:53]([OH:99])[C@H:59]([O:116][C@H:68]2[C@H:56]([OH:102])[C@@H:54]([OH:100])[C@@H:60]([O:117][C@@H:69]3[C@H:57]([OH:103])[C@@H:64]([O:119][C@H:66]4[C@H:47]([N:78]=[C:33]([CH3:5])[OH:88])[C@@H:61]([O:118][C@H:70]5[C@H:58]([OH:104])[C@@H:65]([O:122][C@:74]6([C:72](=[O:107])[OH:108])[CH2:21][C@H:37]([OH:91])[C@@H:46]([N:77]=[C:32]([CH3:4])[OH:87])[C@H:63]([C@@H:49]([C@@H:39]([CH2:23][OH:80])[OH:93])[OH:95])[O:121]6)[C@@H:52]([OH:98])[C@@H:44]([CH2:29][O:110][C@:73]6([C:71](=[O:105])[OH:106])[CH2:20][C@H:36]([OH:90])[C@@H:45]([N:76]=[C:31]([CH3:3])[OH:86])[C@H:62]([C@@H:48]([C@@H:38]([CH2:22][OH:79])[OH:92])[OH:94])[O:120]6)[O:115]5)[C@@H:50]([OH:96])[C@@H:40]([CH2:24][OH:81])[O:111]4)[C@@H:51]([OH:97])[C@@H:41]([CH2:25][OH:82])[O:112]3)[C@@H:43]([CH2:27][OH:84])[O:114]2)[C@@H:42]([CH2:26][OH:83])[O:113]1)[N:75]=[C:30]([CH3:2])[OH:85])[OH:89] |
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