Glycoside
GD008147
Name:
NoneFormula:
C20H21O4N8ClSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN1CCN(c2ccc(Cl)cn2)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 460.88 | Num_heavy_atoms: | 32 |
| TPSA: | 155.75 | 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 |
AD06546
Formula: C11H12ON3Cl
Smiles:
O=CN1CCN(c2ccc(Cl)cn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.68 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
