Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(CCCCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.370 | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1CCC(CC1)CCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | C1CCC(CC1)CCCCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C25H46O11/c26-13-16-18(28)19(29)21(31)25(34-16)36-23-17(14-27)35-24(22(32)20(23)30)33-12-8-3-1-2-5-9-15-10-6-4-7-11-15/h15-32H,1-14H2/t16-,17-,18-,19+,20-,21-,22-,23-,24-,25-/m1/s1 |
InChIKey | InChI | 1.03 | BEKAVONQUWHNMM-IYBATYGCSA-N |