| Properties | Image |
|---|
| MNX_ID | MNXM523857 |
 |
| reference | slm:000486626 |
| formula | C63H107N2O21 |
| global charge | -1 |
| mol weight | 1228.542 |
| InChIKey | UFHDJYAMUIFZBR-JFHSQOTNSA-M |
| InChI | InChI=1S/C63H108N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h12,14,18-19,21-22,25,27,34,36,44-49,51-61,66-68,70-72,74-78H,4-11,13,15-17,20,23-24,26,28-33,35,37-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/p-1/b14-12-,19-18-,22-21-,27-25-,36-34+/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58+,59-,60+,61-,63-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H108N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(73)65-44(45(70)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-81-60-55(77)54(76)57(49(41-68)83-60)84-61-56(78)59(53(75)48(40-67)82-61)86-63(62(79)80)38-46(71)51(64-43(3)69)58(85-63)52(74)47(72)39-66/h12,14,18-19,21-22,25,27,34,36,44-49,51-61,66-68,70-72,74-78H,4-11,13,15-17,20,23-24,26,28-33,35,37-42H2,1-3H3,(H,64,69)(H,65,73)(H,79,80)/b14-12-,19-18-,22-21-,27-25-,36-34+/t44-,45+,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58+,59-,60+,61-,63-/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]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:50](=[N:65][C@@H:44]([CH2:42][O:81][C@H:60]1[C@H:55]([OH:77])[C@@H:54]([OH:76])[C@H:57]([O:84][C@H:61]2[C@H:56]([OH:78])[C@@H:59]([O:86][C@:63]3([C:62](=[O:79])[OH:80])[CH2:38][C@H:46]([OH:71])[C@@H:51]([N:64]=[C:43]([CH3:3])[OH:69])[C@H:58]([C@@H:52]([C@@H:47]([CH2:39][OH:66])[OH:72])[OH:74])[O:85]3)[C@@H:53]([OH:75])[C@@H:48]([CH2:40][OH:67])[O:82]2)[C@@H:49]([CH2:41][OH:68])[O:83]1)[C@@H:45](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:70])[OH:73] |
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