Glycoside
GD032366
Name:
NoneFormula:
C20H30O3N6Smiles:
CN1CCC2(CCCN2C[C@@H]2O[C@H](n3ccc4c(N)ncnc43)[C@H](O)[C@H]2O)CC1Aglycone:
CN1CCC2(CCCN2C)CC1.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 402.5 | Num_heavy_atoms: | 29 |
| TPSA: | 112.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD20766
Formula: C10H20N2
Smiles:
CN1CCC2(CCCN2C)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.28 | Num_heavy_atoms: | 12 |
| TPSA: | 6.48 | NumAromaticRings: | 0 |
