Glycoside
GD019520
Name:
NoneFormula:
C25H27O5N7Smiles:
COc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2O[C@H](n3cnc(C(N)=O)n3)[C@H](O)[C@H]2O)cc1Aglycone:
CNCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 505.54 | Num_heavy_atoms: | 37 |
| TPSA: | 162.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD10364
Formula: C18H19ON3
Smiles:
CNCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.37 | Num_heavy_atoms: | 22 |
| TPSA: | 39.08 | NumAromaticRings: | 3 |
