Glycoside
GD028006
Name:
NoneFormula:
C32H28O6N6FClSmiles:
Nc1ncnc2c1nc(NCc1ccc(Cl)cc1)n2[C@@H]1O[C@H](COCc2ccc(C(=O)Oc3ccc(F)cc3)cc2)[C@H](O)[C@H]1OAglycone:
COCc1ccc(C(=O)Oc2ccc(F)cc2)cc1.Nc1ncnc2c1N=C(NCc1ccc(Cl)cc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 635.05 | Num_heavy_atoms: | 45 |
| TPSA: | 166.87 | NumAromaticRings: | 5 |
Unique Aglycone
AD08546
Formula: C13H10N6Cl
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(Cl)cc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.71 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
AD18342
Formula: C15H13O3F
Smiles:
COCc1ccc(C(=O)Oc2ccc(F)cc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.26 | Num_heavy_atoms: | 19 |
| TPSA: | 35.53 | NumAromaticRings: | 2 |
