| Properties | Image |
|---|
| MNX_ID | MNXM1060965 |
 |
| reference | slm:000753569 |
| formula | C68H123N3O29 |
| global charge | 0 |
| mol weight | 1446.724 |
| InChIKey | GLAPWEYLBAXUAR-GBGHKGCOSA-N |
| InChI | InChI=1S/C68H123N3O29/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-47(80)71-40(50(81)41(79)30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-91-66-57(88)55(86)60(45(35-75)95-66)97-67-58(89)56(87)61(46(36-76)96-67)98-68-59(90)63(53(84)44(34-74)94-68)100-65-49(70-39(4)78)62(52(83)43(33-73)93-65)99-64-48(69-38(3)77)54(85)51(82)42(32-72)92-64/h15,17,40-46,48-68,72-76,79,81-90H,5-14,16,18-37H2,1-4H3,(H,69,77)(H,70,78)(H,71,80)/b17-15-/t40-,41+,42+,43+,44+,45+,46+,48+,49+,50-,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+,63-,64-,65-,66+,67-,68+/m0/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=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@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H123N3O29/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-47(80)71-40(50(81)41(79)30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-91-66-57(88)55(86)60(45(35-75)95-66)97-67-58(89)56(87)61(46(36-76)96-67)98-68-59(90)63(53(84)44(34-74)94-68)100-65-49(70-39(4)78)62(52(83)43(33-73)93-65)99-64-48(69-38(3)77)54(85)51(82)42(32-72)92-64/h15,17,40-46,48-68,72-76,79,81-90H,5-14,16,18-37H2,1-4H3,(H,69,77)(H,70,78)(H,71,80)/b17-15-/t40-,41+,42+,43+,44+,45+,46+,48+,49+,50-,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+,63-,64-,65-,66+,67-,68+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]\[CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:47](=[N:71][C@@H:40]([CH2:37][O:91][C@H:66]1[C@H:57]([OH:88])[C@@H:55]([OH:86])[C@H:60]([O:97][C@H:67]2[C@H:58]([OH:89])[C@@H:56]([OH:87])[C@@H:61]([O:98][C@@H:68]3[C@H:59]([OH:90])[C@@H:63]([O:100][C@H:65]4[C@H:49]([N:70]=[C:39]([CH3:4])[OH:78])[C@@H:62]([O:99][C@H:64]5[C@H:48]([N:69]=[C:38]([CH3:3])[OH:77])[C@@H:54]([OH:85])[C@@H:51]([OH:82])[C@@H:42]([CH2:32][OH:72])[O:92]5)[C@@H:52]([OH:83])[C@@H:43]([CH2:33][OH:73])[O:93]4)[C@@H:53]([OH:84])[C@@H:44]([CH2:34][OH:74])[O:94]3)[C@@H:46]([CH2:36][OH:76])[O:96]2)[C@@H:45]([CH2:35][OH:75])[O:95]1)[C@@H:50]([C@@H:41]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:79])[OH:81])[OH:80] |
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