Glycoside
GD019814
Name:
NoneFormula:
C22H26O3N8Smiles:
Cc1cn(-c2cccnc2)c(C)c1CNC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNCc1c(C)cn(-c2cccnc2)c1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.5 | Num_heavy_atoms: | 33 |
| TPSA: | 149.16 | NumAromaticRings: | 4 |
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 |
AD13781
Formula: C13H17N3
Smiles:
CNCc1c(C)cn(-c2cccnc2)c1C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 215.3 | Num_heavy_atoms: | 16 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
