Glycoside
GD021845
Name:
NoneFormula:
C27H28O4N8Smiles:
COc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
CNCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.57 | Num_heavy_atoms: | 39 |
| TPSA: | 158.39 | NumAromaticRings: | 5 |
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 |
AD10364
Formula: C18H19ON3
Smiles:
CNCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.37 | Num_heavy_atoms: | 22 |
| TPSA: | 39.08 | NumAromaticRings: | 3 |
