Glycoside
GD029709
Name:
NoneFormula:
C18H16O5N5ClSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(Cl)cc2)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(Cl)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.8 | Num_heavy_atoms: | 28 |
| TPSA: | 145.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD14758
Formula: C9H7O2Cl
Smiles:
COC(=O)c1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.59 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
