| Properties | Image |
|---|
| MNX_ID | MNXM105516 |
 |
| reference | chebi:69807 |
| formula | C40H54O23 |
| global charge | 0 |
| mol weight | 902.849 |
| InChIKey | IPIDJIFORCRBPN-ODPUUKIVSA-N |
| InChI | InChI=1S/C40H54O23/c1-54-25-11-17(3-6-20(25)43)4-7-28(48)61-35-27(16-58-38-33(52)30(49)24(47)15-57-38)60-40(55-9-8-18-2-5-19(42)21(44)10-18)37(62-29-12-22(45)23(46)14-56-29)36(35)63-39-34(53)32(51)31(50)26(13-41)59-39/h2-7,10-11,22-24,26-27,29-47,49-53H,8-9,12-16H2,1H3/b7-4+/t22-,23+,24-,26-,27-,29+,30+,31-,32+,33-,34-,35-,36+,37-,38+,39+,40-/m1/s1 |
| SMILES | COC1=C(O)C=CC(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)CO3)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C40H54O23/c1-54-25-11-17(3-6-20(25)43)4-7-28(48)61-35-27(16-58-38-33(52)30(49)24(47)15-57-38)60-40(55-9-8-18-2-5-19(42)21(44)10-18)37(62-29-12-22(45)23(46)14-56-29)36(35)63-39-34(53)32(51)31(50)26(13-41)59-39/h2-7,10-11,22-24,26-27,29-47,49-53H,8-9,12-16H2,1H3/b7-4+/t22-,23+,24-,26-,27-,29+,30+,31-,32+,33-,34-,35-,36+,37-,38+,39+,40-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:54][C:25]1=[C:20]([OH:43])[CH:6]=[CH:3][C:17](/[CH:4]=[CH:7]/[C:28](=[O:48])[O:61][C@@H:35]2[C@@H:27]([CH2:16][O:58][C@H:38]3[C@H:33]([OH:52])[C@@H:30]([OH:49])[C@H:24]([OH:47])[CH2:15][O:57]3)[O:60][C@@H:40]([O:55][CH2:9][CH2:8][C:18]3=[CH:10][C:21]([OH:44])=[C:19]([OH:42])[CH:5]=[CH:2]3)[C@H:37]([O:62][C@H:29]3[CH2:12][C@@H:22]([OH:45])[C@@H:23]([OH:46])[CH2:14][O:56]3)[C@H:36]2[O:63][C@H:39]2[C@H:34]([OH:53])[C@@H:32]([OH:51])[C@H:31]([OH:50])[C@@H:26]([CH2:13][OH:41])[O:59]2)=[CH:11]1 |
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