| Properties | Image |
|---|
| MNX_ID | MNXM1063167 |
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| reference | slm:000755807 |
| formula | C46H87NO19 |
| global charge | 0 |
| mol weight | 958.19 |
| InChIKey | ASOBSBSRLULJKA-LZRVIFQBSA-N |
| InChI | InChI=1S/C46H87NO19/c1-3-5-7-9-11-12-13-14-15-17-18-20-22-29(51)34(53)28(47-33(52)23-21-19-16-10-8-6-4-2)27-61-44-40(59)38(57)42(32(26-50)64-44)65-46-41(60)43(36(55)31(25-49)63-46)66-45-39(58)37(56)35(54)30(24-48)62-45/h28-32,34-46,48-51,53-60H,3-27H2,1-2H3,(H,47,52)/t28-,29+,30+,31+,32+,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44+,45+,46-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[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@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H87NO19/c1-3-5-7-9-11-12-13-14-15-17-18-20-22-29(51)34(53)28(47-33(52)23-21-19-16-10-8-6-4-2)27-61-44-40(59)38(57)42(32(26-50)64-44)65-46-41(60)43(36(55)31(25-49)63-46)66-45-39(58)37(56)35(54)30(24-48)62-45/h28-32,34-46,48-51,53-60H,3-27H2,1-2H3,(H,47,52)/t28-,29+,30+,31+,32+,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44+,45+,46-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:17][CH2:18][CH2:20][CH2:22][C@H:29]([C@H:34]([C@H:28]([CH2:27][O:61][C@H:44]1[C@H:40]([OH:59])[C@@H:38]([OH:57])[C@H:42]([O:65][C@H:46]2[C@H:41]([OH:60])[C@@H:43]([O:66][C@@H:45]3[C@H:39]([OH:58])[C@@H:37]([OH:56])[C@@H:35]([OH:54])[C@@H:30]([CH2:24][OH:48])[O:62]3)[C@@H:36]([OH:55])[C@@H:31]([CH2:25][OH:49])[O:63]2)[C@@H:32]([CH2:26][OH:50])[O:64]1)[N:47]=[C:33]([CH2:23][CH2:21][CH2:19][CH2:16][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:52])[OH:53])[OH:51] |
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