| Properties | Image |
|---|
| MNX_ID | MNXM1065344 |
 |
| reference | slm:000758008 |
| formula | C74H131NO22 |
| global charge | 0 |
| mol weight | 1386.847 |
| InChIKey | XHQHXKZEFUUOMI-ADXLTVHTSA-N |
| InChI | InChI=1S/C74H131NO22/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-58(80)75-53(54(79)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)51-90-71-67(89)64(86)68(57(50-78)94-71)95-74-70(97-72-65(87)62(84)59(81)52(3)91-72)69(61(83)56(49-77)93-74)96-73-66(88)63(85)60(82)55(48-76)92-73/h12,14,18-19,21-22,24-25,27-28,52-57,59-74,76-79,81-89H,4-11,13,15-17,20,23,26,29-51H2,1-3H3,(H,75,80)/b14-12-,19-18-,22-21-,25-24-,28-27-/t52-,53-,54+,55+,56+,57+,59+,60-,61-,62+,63-,64+,65-,66+,67+,68+,69-,70+,71+,72-,73+,74-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)N[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](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H131NO22/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-58(80)75-53(54(79)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)51-90-71-67(89)64(86)68(57(50-78)94-71)95-74-70(97-72-65(87)62(84)59(81)52(3)91-72)69(61(83)56(49-77)93-74)96-73-66(88)63(85)60(82)55(48-76)92-73/h12,14,18-19,21-22,24-25,27-28,52-57,59-74,76-79,81-89H,4-11,13,15-17,20,23,26,29-51H2,1-3H3,(H,75,80)/b14-12-,19-18-,22-21-,25-24-,28-27-/t52-,53-,54+,55+,56+,57+,59+,60-,61-,62+,63-,64+,65-,66+,67+,68+,69-,70+,71+,72-,73+,74-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:58](=[N:75][C@@H:53]([CH2:51][O:90][C@H:71]1[C@H:67]([OH:89])[C@@H:64]([OH:86])[C@H:68]([O:95][C@H:74]2[C@H:70]([O:97][C@H:72]3[C@@H:65]([OH:87])[C@H:62]([OH:84])[C@H:59]([OH:81])[C@H:52]([CH3:3])[O:91]3)[C@@H:69]([O:96][C@@H:73]3[C@H:66]([OH:88])[C@@H:63]([OH:85])[C@@H:60]([OH:82])[C@@H:55]([CH2:48][OH:76])[O:92]3)[C@@H:61]([OH:83])[C@@H:56]([CH2:49][OH:77])[O:93]2)[C@@H:57]([CH2:50][OH:78])[O:94]1)[C@@H:54]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:79])[OH:80] |
|