| Properties | Image |
|---|
| MNX_ID | MNXM102908 |
 |
| reference | chebi:67236 |
| formula | C44H74O21 |
| global charge | 0 |
| mol weight | 939.055 |
| InChIKey | CWAXZXSFUDEMIX-ZIKBFGBNSA-N |
| InChI | InChI=1S/C44H74O21/c1-7-44(6,65-42-37(57)34(54)38(27(19-47)62-42)63-40-35(55)31(51)28(48)24(5)59-40)16-10-15-22(3)12-8-11-21(2)13-9-14-23(4)20-58-43-39(33(53)30(50)26(18-46)61-43)64-41-36(56)32(52)29(49)25(17-45)60-41/h7,11,14-15,24-43,45-57H,1,8-10,12-13,16-20H2,2-6H3/b21-11+,22-15+,23-14-/t24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+/m0/s1 |
| SMILES | C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C44H74O21/c1-7-44(6,65-42-37(57)34(54)38(27(19-47)62-42)63-40-35(55)31(51)28(48)24(5)59-40)16-10-15-22(3)12-8-11-21(2)13-9-14-23(4)20-58-43-39(33(53)30(50)26(18-46)61-43)64-41-36(56)32(52)29(49)25(17-45)60-41/h7,11,14-15,24-43,45-57H,1,8-10,12-13,16-20H2,2-6H3/b21-11+,22-15+,23-14-/t24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:7][C@:44]([CH3:6])([CH2:16][CH2:10]/[CH:15]=[C:22](\[CH3:3])[CH2:12][CH2:8]/[CH:11]=[C:21](\[CH3:2])[CH2:13][CH2:9]/[CH:14]=[C:23](/[CH3:4])[CH2:20][O:58][C@H:43]1[C@H:39]([O:64][C@H:41]2[C@H:36]([OH:56])[C@@H:32]([OH:52])[C@H:29]([OH:49])[C@@H:25]([CH2:17][OH:45])[O:60]2)[C@@H:33]([OH:53])[C@H:30]([OH:50])[C@@H:26]([CH2:18][OH:46])[O:61]1)[O:65][C@H:42]1[C@H:37]([OH:57])[C@@H:34]([OH:54])[C@H:38]([O:63][C@H:40]2[C@H:35]([OH:55])[C@H:31]([OH:51])[C@@H:28]([OH:48])[C@H:24]([CH3:5])[O:59]2)[C@@H:27]([CH2:19][OH:47])[O:62]1 |
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