Glycoside
GD017539
Name:
NoneFormula:
C20H22O3N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(-n3cccn3)cc2)[C@H](O)[C@H]1OAglycone:
CNCc1ccc(-n2cccn2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.45 | Num_heavy_atoms: | 31 |
| TPSA: | 149.16 | 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 |
AD10906
Formula: C11H13N3
Smiles:
CNCc1ccc(-n2cccn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
