Glycoside
GD004633
Name:
NoneFormula:
C19H25O3N7Smiles:
CN(Cc1ccccc1CN)C[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)Cc1ccccc1CN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.46 | Num_heavy_atoms: | 29 |
| TPSA: | 148.57 | 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 |
AD04020
Formula: C10H16N2
Smiles:
CN(C)Cc1ccccc1CN| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.25 | Num_heavy_atoms: | 12 |
| TPSA: | 29.26 | NumAromaticRings: | 1 |
