| Properties | Image |
|---|
| MNX_ID | MNXM1129308 |
 |
| reference | chebi:172854 |
| formula | C44H74O20 |
| global charge | 0 |
| mol weight | 923.056 |
| InChIKey | VWZHZYXUGKPPIX-VBWVXKAUSA-N |
| InChI | InChI=1S/C44H74O20/c1-8-44(7,64-43-38(56)34(52)39(26(18-45)61-43)63-42-37(55)32(50)29(47)25(6)60-42)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-36(54)33(51)30(48)27(62-41)20-58-40-35(53)31(49)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12+,22-16+,23-15-/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]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[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/C44H74O20/c1-8-44(7,64-43-38(56)34(52)39(26(18-45)61-43)63-42-37(55)32(50)29(47)25(6)60-42)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-36(54)33(51)30(48)27(62-41)20-58-40-35(53)31(49)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12+,22-16+,23-15-/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:8][C@:44]([CH3:7])([CH2:17][CH2:11]/[CH:16]=[C:22](\[CH3:3])[CH2:13][CH2:9]/[CH:12]=[C:21](\[CH3:2])[CH2:14][CH2:10]/[CH:15]=[C:23](/[CH3:4])[CH2:19][O:57][C@H:41]1[C@H:36]([OH:54])[C@@H:33]([OH:51])[C@H:30]([OH:48])[C@@H:27]([CH2:20][O:58][C@H:40]2[C@H:35]([OH:53])[C@H:31]([OH:49])[C@@H:28]([OH:46])[C@H:24]([CH3:5])[O:59]2)[O:62]1)[O:64][C@H:43]1[C@H:38]([OH:56])[C@@H:34]([OH:52])[C@H:39]([O:63][C@H:42]2[C@H:37]([OH:55])[C@H:32]([OH:50])[C@@H:29]([OH:47])[C@H:25]([CH3:6])[O:60]2)[C@@H:26]([CH2:18][OH:45])[O:61]1 |
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