| Properties | Image |
|---|
| MNX_ID | MNXM1058433 |
 |
| reference | slm:000750997 |
| formula | C74H132N2O33 |
| global charge | 0 |
| mol weight | 1577.851 |
| InChIKey | DIYRUBQTIGOSBT-VHLGVCOGSA-N |
| InChI | InChI=1S/C74H132N2O33/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-49(84)76-42(52(86)43(83)32-30-28-26-24-22-18-16-14-12-10-8-6-2)39-98-70-61(95)58(92)64(47(37-80)103-70)105-72-62(96)59(93)65(48(38-81)104-72)106-73-63(97)67(55(89)46(36-79)101-73)108-69-50(75-41(4)82)66(54(88)45(35-78)100-69)107-74-68(57(91)53(87)44(34-77)102-74)109-71-60(94)56(90)51(85)40(3)99-71/h13,15,19-20,40,42-48,50-74,77-81,83,85-97H,5-12,14,16-18,21-39H2,1-4H3,(H,75,82)(H,76,84)/b15-13-,20-19-/t40-,42-,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+,71-,72-,73+,74-/m0/s1 |
| SMILES | CCCCC/C=C\C/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]5O[C@@H]5O[C@@H](C)[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/C74H132N2O33/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-49(84)76-42(52(86)43(83)32-30-28-26-24-22-18-16-14-12-10-8-6-2)39-98-70-61(95)58(92)64(47(37-80)103-70)105-72-62(96)59(93)65(48(38-81)104-72)106-73-63(97)67(55(89)46(36-79)101-73)108-69-50(75-41(4)82)66(54(88)45(35-78)100-69)107-74-68(57(91)53(87)44(34-77)102-74)109-71-60(94)56(90)51(85)40(3)99-71/h13,15,19-20,40,42-48,50-74,77-81,83,85-97H,5-12,14,16-18,21-39H2,1-4H3,(H,75,82)(H,76,84)/b15-13-,20-19-/t40-,42-,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+,71-,72-,73+,74-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:49](=[N:76][C@@H:42]([CH2:39][O:98][C@H:70]1[C@H:61]([OH:95])[C@@H:58]([OH:92])[C@H:64]([O:105][C@H:72]2[C@H:62]([OH:96])[C@@H:59]([OH:93])[C@@H:65]([O:106][C@@H:73]3[C@H:63]([OH:97])[C@@H:67]([O:108][C@H:69]4[C@H:50]([N:75]=[C:41]([CH3:4])[OH:82])[C@@H:66]([O:107][C@H:74]5[C@H:68]([O:109][C@H:71]6[C@@H:60]([OH:94])[C@H:56]([OH:90])[C@H:51]([OH:85])[C@H:40]([CH3:3])[O:99]6)[C@@H:57]([OH:91])[C@@H:53]([OH:87])[C@@H:44]([CH2:34][OH:77])[O:102]5)[C@@H:54]([OH:88])[C@@H:45]([CH2:35][OH:78])[O:100]4)[C@@H:55]([OH:89])[C@@H:46]([CH2:36][OH:79])[O:101]3)[C@@H:48]([CH2:38][OH:81])[O:104]2)[C@@H:47]([CH2:37][OH:80])[O:103]1)[C@@H:52]([C@@H:43]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:83])[OH:86])[OH:84] |
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