Glycoside
GD032406
Name:
NoneFormula:
C22H23O6N7Smiles:
COc1ccc(CNc2c(NC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)c(=O)c2=O)cc1Aglycone:
CNc1c(NCc2ccc(OC)cc2)c(=O)c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.47 | Num_heavy_atoms: | 35 |
| TPSA: | 186.74 | 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 |
AD20786
Formula: C13H14O3N2
Smiles:
CNc1c(NCc2ccc(OC)cc2)c(=O)c1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.27 | Num_heavy_atoms: | 18 |
| TPSA: | 67.43 | NumAromaticRings: | 2 |
