| Properties | Image |
|---|
| MNX_ID | MNXM1065647 |
 |
| reference | slm:000758756 |
| formula | C64H114N2O24 |
| global charge | 0 |
| mol weight | 1295.606 |
| InChIKey | QYJHBLIJPGCPBI-NLESCCTESA-N |
| InChI | InChI=1S/C64H114N2O24/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-47(73)66-41(49(74)42(72)33-31-29-27-25-23-17-15-13-11-9-7-5-2)39-83-62-56(81)53(78)59(45(37-69)86-62)89-64-57(82)54(79)58(46(38-70)87-64)88-61-48(65-40(3)71)60(51(76)44(36-68)84-61)90-63-55(80)52(77)50(75)43(35-67)85-63/h12,14,18-19,21-22,41-46,48-64,67-70,72,74-82H,4-11,13,15-17,20,23-39H2,1-3H3,(H,65,71)(H,66,73)/b14-12-,19-18-,22-21-/t41-,42+,43+,44+,45+,46+,48+,49-,50-,51-,52-,53+,54+,55+,56+,57+,58-,59+,60+,61-,62+,63-,64-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H114N2O24/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-47(73)66-41(49(74)42(72)33-31-29-27-25-23-17-15-13-11-9-7-5-2)39-83-62-56(81)53(78)59(45(37-69)86-62)89-64-57(82)54(79)58(46(38-70)87-64)88-61-48(65-40(3)71)60(51(76)44(36-68)84-61)90-63-55(80)52(77)50(75)43(35-67)85-63/h12,14,18-19,21-22,41-46,48-64,67-70,72,74-82H,4-11,13,15-17,20,23-39H2,1-3H3,(H,65,71)(H,66,73)/b14-12-,19-18-,22-21-/t41-,42+,43+,44+,45+,46+,48+,49-,50-,51-,52-,53+,54+,55+,56+,57+,58-,59+,60+,61-,62+,63-,64-/m0/s1 |
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| 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]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:47](=[N:66][C@@H:41]([CH2:39][O:83][C@H:62]1[C@H:56]([OH:81])[C@@H:53]([OH:78])[C@H:59]([O:89][C@H:64]2[C@H:57]([OH:82])[C@@H:54]([OH:79])[C@@H:58]([O:88][C@H:61]3[C@H:48]([N:65]=[C:40]([CH3:3])[OH:71])[C@@H:60]([O:90][C@H:63]4[C@H:55]([OH:80])[C@@H:52]([OH:77])[C@@H:50]([OH:75])[C@@H:43]([CH2:35][OH:67])[O:85]4)[C@@H:51]([OH:76])[C@@H:44]([CH2:36][OH:68])[O:84]3)[C@@H:46]([CH2:38][OH:70])[O:87]2)[C@@H:45]([CH2:37][OH:69])[O:86]1)[C@@H:49]([C@@H:42]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:72])[OH:74])[OH:73] |
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