Glycoside
GD012630
Name:
NoneFormula:
C25H26O4N6Smiles:
CCc1ccc(-c2ccc(C(=O)NC[C@@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
CCc1ccc(-c2ccc(C(=O)NC)cc2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.52 | Num_heavy_atoms: | 35 |
| TPSA: | 148.41 | NumAromaticRings: | 4 |
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 |
AD09505
Formula: C16H17ON
Smiles:
CCc1ccc(-c2ccc(C(=O)NC)cc2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 239.32 | Num_heavy_atoms: | 18 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
