Glycoside
GD007792
Name:
NoneFormula:
C22H22O4N6Smiles:
C[C@H](NC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)c1cccc2ccccc12Aglycone:
CC(NC=O)c1cccc2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.46 | Num_heavy_atoms: | 32 |
| TPSA: | 148.41 | 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 |
AD06308
Formula: C13H13ON
Smiles:
CC(NC=O)c1cccc2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 199.25 | Num_heavy_atoms: | 15 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
