Glycoside
GD031761
Name:
NoneFormula:
C24H28O3N6Smiles:
CC(C)N(Cc1ccc2ccccc2c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)Cc1ccc2ccccc2c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.53 | Num_heavy_atoms: | 33 |
| TPSA: | 122.55 | 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 |
AD20443
Formula: C15H19N
Smiles:
CC(C)N(C)Cc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.32 | Num_heavy_atoms: | 16 |
| TPSA: | 3.24 | NumAromaticRings: | 2 |
