Glycoside
GD028000
Name:
NoneFormula:
C20H19O5N4ClSmiles:
O=CCNc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@H](O)[C@H]1OAglycone:
O=CCNc1ncnc2c1C=C[N]2.OCc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.84 | Num_heavy_atoms: | 29 |
| TPSA: | 129.73 | 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 |
AD18338
Formula: C8H7ON4
Smiles:
O=CCNc1ncnc2c1C=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 175.17 | Num_heavy_atoms: | 13 |
| TPSA: | 68.98 | NumAromaticRings: | 1 |
