Glycoside
GD021999
Name:
NoneFormula:
C24H26O4N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(OCc3ccccc3)cc2)[C@H](O)[C@H]1OAglycone:
CNCc1ccc(OCc2ccccc2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.51 | Num_heavy_atoms: | 34 |
| TPSA: | 140.57 | 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 |
AD14967
Formula: C15H17ON
Smiles:
CNCc1ccc(OCc2ccccc2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 227.31 | Num_heavy_atoms: | 17 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
