| Properties | Image |
|---|
| MNX_ID | MNXM12473 |
 |
| reference | biggM:galacglc13galacglcgal14acglcgalgluside_hs |
| formula | C74H128N4O43 |
| global charge | 0 |
| mol weight | 1761.823 |
| InChIKey | GJWRHCGICQJRIC-YFRPVVHJSA-N |
| InChI | InChI=1S/C74H128N4O43/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(91)33(75-29(2)87)28-106-70-56(102)54(100)63(42(27-86)114-70)118-74-59(105)66(49(95)38(23-82)110-74)121-69-45(78-32(5)90)52(98)62(41(26-85)113-69)117-73-58(104)65(48(94)37(22-81)109-73)120-68-44(77-31(4)89)51(97)61(40(25-84)112-68)116-72-57(103)64(47(93)36(21-80)108-72)119-67-43(76-30(3)88)50(96)60(39(24-83)111-67)115-71-55(101)53(99)46(92)35(20-79)107-71/h18-19,33-74,79-86,91-105H,6-17,20-28H2,1-5H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/b19-18+/t33-,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-,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](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]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C74H128N4O43/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(91)33(75-29(2)87)28-106-70-56(102)54(100)63(42(27-86)114-70)118-74-59(105)66(49(95)38(23-82)110-74)121-69-45(78-32(5)90)52(98)62(41(26-85)113-69)117-73-58(104)65(48(94)37(22-81)109-73)120-68-44(77-31(4)89)51(97)61(40(25-84)112-68)116-72-57(103)64(47(93)36(21-80)108-72)119-67-43(76-30(3)88)50(96)60(39(24-83)111-67)115-71-55(101)53(99)46(92)35(20-79)107-71/h18-19,33-74,79-86,91-105H,6-17,20-28H2,1-5H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/b19-18+/t33-,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-,73-,74-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C@@H:3]1[CH2:4][C@H:5]([CH2:6][C@H:7]2[C@H:8]([CH3:9])[C@@H:10]([CH2:11][C:12](=[CH2:13])[CH3:14])[C@@H:15]([CH2:16][C@@H:17]3[C@H:18]([CH3:19])[C@H:20]([CH2:21][C@H:22]4[C@H:23]([CH3:24])[C@H:25]([CH2:26][C:27](=[CH2:28])[CH3:29])[C@@H:30]([CH2:31][C@H:32]5[C@@H:33]([CH3:34])[C@H:35]([CH2:36][C@H:37]6[C@H:38]([CH3:39])[C@@H:40]([CH2:41][C:42](=[CH2:43])[CH3:44])[C@H:45]([CH2:46][C@@H:47]7[CH:48]([CH3:49])[C@@H:50]([CH2:51][C@H:52]8[C@H:53]([CH3:54])[C@@H:55]([CH3:56])[C@H:57]([CH2:58][CH2:59][C@H:60]([CH2:61][C:62](=[CH2:63])[CH3:64])[C@H:65]([CH3:66])/[CH:67]=[CH:68]\[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][NH:75][NH:76][NH:77][NH:78][O:79][O:80][OH:81])[O:82][O:83]8[O:84][OH:85])[O:86][O@:87]([O:88][OH:89])[O@:90]7[OH:91])[O:92][O:93]6[O:94][OH:95])[O:96][O@:97]([O:98][OH:99])[O@@:100]5[OH:101])[O:102][O:103]4[O:104][OH:105])[O:106][O@:107]([O:108][OH:109])[O@:110]3[OH:111])[O:112][O:113]2[O:114][OH:115])[O@:116]([OH:117])[O@@:118]([OH:119])[O@@:120]1[OH:121] |
|