| Properties | Image |
|---|
| MNX_ID | MNXM1055920 |
 |
| reference | slm:000748354 |
| formula | C68H114N2O23 |
| global charge | 0 |
| mol weight | 1327.651 |
| InChIKey | AGBJVCBWORMICY-JANARJSASA-N |
| InChI | InChI=1S/C68H114N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h6,8,12,14,18-19,21-22,24-25,29,31,36,38,46-51,53-68,71-74,76,78-85H,4-5,7,9-11,13,15-17,20,23,26-28,30,32-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b8-6-,14-12-,19-18-,22-21-,25-24-,31-29-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H114N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h6,8,12,14,18-19,21-22,24-25,29,31,36,38,46-51,53-68,71-74,76,78-85H,4-5,7,9-11,13,15-17,20,23,26-28,30,32-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b8-6-,14-12-,19-18-,22-21-,25-24-,31-29-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH: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]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][C:52](=[N:70][C@@H:46]([CH2:44][O:86][C@H:66]1[C@H:59]([OH:83])[C@@H:57]([OH:81])[C@H:62]([O:91][C@H:67]2[C@H:60]([OH:84])[C@@H:58]([OH:82])[C@@H:63]([O:92][C@@H:68]3[C@H:61]([OH:85])[C@@H:64]([O:93][C@H:65]4[C@H:53]([N:69]=[C:45]([CH3:3])[OH:75])[C@@H:56]([OH:80])[C@@H:54]([OH:78])[C@@H:48]([CH2:40][OH:71])[O:87]4)[C@@H:55]([OH:79])[C@@H:49]([CH2:41][OH:72])[O:88]3)[C@@H:51]([CH2:43][OH:74])[O:90]2)[C@@H:50]([CH2:42][OH:73])[O:89]1)[C@@H:47](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:76])[OH:77] |
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