Glycoside
GD009928
Name:
NoneFormula:
C20H24O4N6Smiles:
CCC(=O)NC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CCC(=O)NCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 412.45 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD01172
Formula: C4H9ON
Smiles:
CCC(=O)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 87.12 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
