Glycoside
GD012477
Name:
NoneFormula:
C18H20O5N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)NCc2ccccc2)[C@H](O)[C@H]1OAglycone:
COC(=O)NCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.4 | Num_heavy_atoms: | 29 |
| TPSA: | 157.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD00054
Formula: C9H11O2N
Smiles:
COC(=O)NCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
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 |
