| Properties | Image |
|---|
| MNX_ID | MNXM1056515 |
 |
| reference | slm:000748961 |
| formula | C70H124N2O29 |
| global charge | 0 |
| mol weight | 1457.747 |
| InChIKey | PCFCRMWEPUTXOD-FRHSQQKSSA-N |
| InChI | InChI=1S/C70H124N2O29/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-49(80)72-42(51(81)43(79)33-31-29-27-25-23-17-15-13-11-9-7-5-2)40-92-67-59(89)56(86)62(47(38-76)96-67)98-69-60(90)57(87)63(48(39-77)97-69)99-70-61(91)65(54(84)46(37-75)95-70)101-66-50(71-41(3)78)64(53(83)45(36-74)93-66)100-68-58(88)55(85)52(82)44(35-73)94-68/h12,14,18-19,21-22,42-48,50-70,73-77,79,81-91H,4-11,13,15-17,20,23-40H2,1-3H3,(H,71,78)(H,72,80)/b14-12-,19-18-,22-21-/t42-,43+,44+,45+,46+,47+,48+,50+,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64+,65-,66-,67+,68-,69-,70+/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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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/C70H124N2O29/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-49(80)72-42(51(81)43(79)33-31-29-27-25-23-17-15-13-11-9-7-5-2)40-92-67-59(89)56(86)62(47(38-76)96-67)98-69-60(90)57(87)63(48(39-77)97-69)99-70-61(91)65(54(84)46(37-75)95-70)101-66-50(71-41(3)78)64(53(83)45(36-74)93-66)100-68-58(88)55(85)52(82)44(35-73)94-68/h12,14,18-19,21-22,42-48,50-70,73-77,79,81-91H,4-11,13,15-17,20,23-40H2,1-3H3,(H,71,78)(H,72,80)/b14-12-,19-18-,22-21-/t42-,43+,44+,45+,46+,47+,48+,50+,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64+,65-,66-,67+,68-,69-,70+/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]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:49](=[N:72][C@@H:42]([CH2:40][O:92][C@H:67]1[C@H:59]([OH:89])[C@@H:56]([OH:86])[C@H:62]([O:98][C@H:69]2[C@H:60]([OH:90])[C@@H:57]([OH:87])[C@@H:63]([O:99][C@@H:70]3[C@H:61]([OH:91])[C@@H:65]([O:101][C@H:66]4[C@H:50]([N:71]=[C:41]([CH3:3])[OH:78])[C@@H:64]([O:100][C@H:68]5[C@H:58]([OH:88])[C@@H:55]([OH:85])[C@@H:52]([OH:82])[C@@H:44]([CH2:35][OH:73])[O:94]5)[C@@H:53]([OH:83])[C@@H:45]([CH2:36][OH:74])[O:93]4)[C@@H:54]([OH:84])[C@@H:46]([CH2:37][OH:75])[O:95]3)[C@@H:48]([CH2:39][OH:77])[O:97]2)[C@@H:47]([CH2:38][OH:76])[O:96]1)[C@@H:51]([C@@H:43]([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:79])[OH:81])[OH:80] |
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