Glycoside
GD026956
Name:
NoneFormula:
C38H55O17N6F3SSmiles:
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOCCOCCOc1cc(C2(C(F)(F)F)N=N2)ccc1CON=CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOc1cc(C2(C(F)(F)F)N=N2)ccc1CON=COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 25 |
| MolWt: | 956.94 | Num_heavy_atoms: | 65 |
| TPSA: | 322.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD17744
Formula: C26H35O7N6F3S
Smiles:
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOc1cc(C2(C(F)(F)F)N=N2)ccc1CON=CO| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 19 |
| MolWt: | 632.66 | Num_heavy_atoms: | 43 |
| TPSA: | 164.46 | NumAromaticRings: | 1 |
