Glycoside
GD022293
Name:
NoneFormula:
C20H25O3N7Smiles:
C=CCN(Cc1cccc(N)c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C=CCN(C)Cc1cccc(N)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 411.47 | Num_heavy_atoms: | 30 |
| 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 |
AD15132
Formula: C11H16N2
Smiles:
C=CCN(C)Cc1cccc(N)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.26 | Num_heavy_atoms: | 13 |
| TPSA: | 29.26 | NumAromaticRings: | 1 |
