| Properties | Image |
|---|
| MNX_ID | MNXM106190 |
 |
| reference | chebi:69664 |
| formula | C28H38O14 |
| global charge | 0 |
| mol weight | 598.598 |
| InChIKey | FHFLZYGQOCDSKY-FCEOPEINSA-N |
| InChI | InChI=1S/C28H38O14/c1-36-16-5-12(6-17(37-2)21(16)31)26-14(9-29)15(11-40-28-25(35)24(34)23(33)20(10-30)41-28)27(42-26)13-7-18(38-3)22(32)19(8-13)39-4/h5-8,14-15,20,23-35H,9-11H2,1-4H3/t14-,15-,20-,23-,24+,25-,26+,27+,28-/m1/s1 |
| SMILES | COC1=CC([C@@H]2O[C@@H](C3=CC(OC)=C(O)C(OC)=C3)[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2CO)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C28H38O14/c1-36-16-5-12(6-17(37-2)21(16)31)26-14(9-29)15(11-40-28-25(35)24(34)23(33)20(10-30)41-28)27(42-26)13-7-18(38-3)22(32)19(8-13)39-4/h5-8,14-15,20,23-35H,9-11H2,1-4H3/t14-,15-,20-,23-,24+,25-,26+,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:16]1=[C:21]([OH:31])[C:17]([O:37][CH3:2])=[CH:6][C:12]([C@H:26]2[C@H:14]([CH2:9][OH:29])[C@@H:15]([CH2:11][O:40][C@H:28]3[C@H:25]([OH:35])[C@@H:24]([OH:34])[C@H:23]([OH:33])[C@@H:20]([CH2:10][OH:30])[O:41]3)[C@H:27]([C:13]3=[CH:7][C:18]([O:38][CH3:3])=[C:22]([OH:32])[C:19]([O:39][CH3:4])=[CH:8]3)[O:42]2)=[CH:5]1 |
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