Glycoside
GD026818
Name:
NoneFormula:
C22H25O6N4ClSmiles:
COC(CNc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@H](O)[C@H]1O)OCAglycone:
COC(CNc1ncnc2c1C=C[N]2)OC.OCc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.91 | Num_heavy_atoms: | 32 |
| TPSA: | 131.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD00253
Formula: C8H7OCl
Smiles:
OCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.59 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD17658
Formula: C10H13O2N4
Smiles:
COC(CNc1ncnc2c1C=C[N]2)OC| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 221.24 | Num_heavy_atoms: | 16 |
| TPSA: | 70.37 | NumAromaticRings: | 1 |
